1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide

C19H21Cl2N5O2 — CID 139417522

IUPAC1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)c1
InChIInChI=1S/C19H21Cl2N5O2/c20-15-1-2-16(21)13(7-15)9-24-5-3-19(11-24)4-6-25(12-19)18(28)26-10-14(8-23-26)17(22)27/h1-2,7-8,10H,3-6,9,11-12H2,(H2,22,27)
InChIKeyXGJXWHGXRQGNIV-UHFFFAOYSA-N
MW422.32 g/mol
LogP2.85
Rot. Bonds3

About 1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide

1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide (PubChem CID 139417522) has the molecular formula C19H21Cl2N5O2 and a molecular weight of 422.32 g/mol. Its IUPAC name is 1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide
PubChem CID139417522
Molecular FormulaC19H21Cl2N5O2
Molecular Weight422.32 g/mol
Exact Mass421.11
IUPAC Name1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)c1
InChIInChI=1S/C19H21Cl2N5O2/c20-15-1-2-16(21)13(7-15)9-24-5-3-19(11-24)4-6-25(12-19)18(28)26-10-14(8-23-26)17(22)27/h1-2,7-8,10H,3-6,9,11-12H2,(H2,22,27)
InChIKeyXGJXWHGXRQGNIV-UHFFFAOYSA-N
XLogP2.85
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 139417575
N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide
CID 135375535
[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
CID 145316045
acetaldehyde;[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
CID 145316044
[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone
CID 162258117
(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 145316137
1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazole-3-carboxylic acid
CID 135383821
1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 142430037
2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl chloride
CID 135321092
[7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 139417629
[7-[(2-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;[7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;bis([7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone);[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[7-[(3-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone;(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 159533540
N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane
CID 162227578

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide (CID 139417522) is 1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide is NC(=O)c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)c1.
What is the InChIKey of 1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide?
The InChIKey is XGJXWHGXRQGNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O2/c20-15-1-2-16(21)13(7-15)9-24-5-3-19(11-24)4-6-25(12-19)18(28)26-10-14(8-23-26)17(22)27/h1-2,7-8,10H,3-6,9,11-12H2,(H2,22,27).
What are the key properties of 1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide?
1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide has a molecular weight of 422.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139417522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).