N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide

C22H29N7O3 — CID 19416158

IUPACN-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(CN3CCCCC3)o2)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C22H29N7O3/c1-4-29-20(22(31)25-17-12-23-27(3)15(17)2)18(13-24-29)26-21(30)19-9-8-16(32-19)14-28-10-6-5-7-11-28/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyNIYWCSAUIGZSAD-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.03
Rot. Bonds7

About N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide (PubChem CID 19416158) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide
PubChem CID19416158
Molecular FormulaC22H29N7O3
Molecular Weight439.52 g/mol
Exact Mass439.23
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(CN3CCCCC3)o2)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C22H29N7O3/c1-4-29-20(22(31)25-17-12-23-27(3)15(17)2)18(13-24-29)26-21(30)19-9-8-16(32-19)14-28-10-6-5-7-11-28/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyNIYWCSAUIGZSAD-UHFFFAOYSA-N
XLogP3.03
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19399657
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414278
4-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19463637
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19477417
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)furan-2-carboxamide
CID 19454915
2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19416107
2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487755
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(1-ethylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 19262390
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881
4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262928
methyl 1-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19414239

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide (CID 19416158) is N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide is CCn1ncc(NC(=O)c2ccc(CN3CCCCC3)o2)c1C(=O)Nc1cnn(C)c1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide?
The InChIKey is NIYWCSAUIGZSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3/c1-4-29-20(22(31)25-17-12-23-27(3)15(17)2)18(13-24-29)26-21(30)19-9-8-16(32-19)14-28-10-6-5-7-11-28/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,25,31)(H,26,30).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19416158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).