4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide

C16H16ClN5O — CID 19277952

IUPAC4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)c1nn(C)cc1Cl
InChIInChI=1S/C16H16ClN5O/c1-20(16(23)15-14(17)11-21(2)19-15)10-12-4-6-13(7-5-12)22-9-3-8-18-22/h3-9,11H,10H2,1-2H3
InChIKeyYLONMKSGCRGYHO-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.53
Rot. Bonds4

About 4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide

4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 19277952) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID19277952
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)c1nn(C)cc1Cl
InChIInChI=1S/C16H16ClN5O/c1-20(16(23)15-14(17)11-21(2)19-15)10-12-4-6-13(7-5-12)22-9-3-8-18-22/h3-9,11H,10H2,1-2H3
InChIKeyYLONMKSGCRGYHO-UHFFFAOYSA-N
XLogP2.53
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
3-(3,4-dichlorophenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 19515586
6-chloro-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 70756144
N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 70714246
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide
CID 112798219
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 70711180
N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 154894262
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
3-bromo-N,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441150
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide (CID 19277952) is 4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide is CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1nn(C)cc1Cl.
What is the InChIKey of 4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is YLONMKSGCRGYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-20(16(23)15-14(17)11-21(2)19-15)10-12-4-6-13(7-5-12)22-9-3-8-18-22/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide?
4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19277952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).