4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

C19H19ClN6O2 — CID 165415319

IUPAC4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN6O2/c1-24-17(15(11-21-24)19(28)25-8-2-9-25)18(27)22-16-7-10-26(23-16)12-13-3-5-14(20)6-4-13/h3-7,10-11H,2,8-9,12H2,1H3,(H,22,23,27)
InChIKeyVEYWNYNSVCYZAV-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.42
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415319) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415319
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN6O2/c1-24-17(15(11-21-24)19(28)25-8-2-9-25)18(27)22-16-7-10-26(23-16)12-13-3-5-14(20)6-4-13/h3-7,10-11H,2,8-9,12H2,1H3,(H,22,23,27)
InChIKeyVEYWNYNSVCYZAV-UHFFFAOYSA-N
XLogP2.42
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide
CID 165415136
4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415380
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288578
4-chloro-1-methyl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-pyrazolecarboxamide
CID 1223565
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide
CID 165368460
4-(azetidine-1-carbonyl)-1-methyl-N-[5-(pyridin-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 165368468
4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide
CID 165415040
4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415090
4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415305
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415326
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-2-ylpyrazol-3-yl)pyrazole-5-carboxamide
CID 165415361
4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415386

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (CID 165415319) is 4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is VEYWNYNSVCYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-24-17(15(11-21-24)19(28)25-8-2-9-25)18(27)22-16-7-10-26(23-16)12-13-3-5-14(20)6-4-13/h3-7,10-11H,2,8-9,12H2,1H3,(H,22,23,27).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).