N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C17H18ClN5O — CID 19296886

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1
InChIInChI=1S/C17H18ClN5O/c1-3-23-16(13(18)9-20-23)10-19-17(24)15-8-14(21-22-15)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyXVCKBDFSPUMWNS-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.18
Rot. Bonds5

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19296886) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19296886
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1
InChIInChI=1S/C17H18ClN5O/c1-3-23-16(13(18)9-20-23)10-19-17(24)15-8-14(21-22-15)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyXVCKBDFSPUMWNS-UHFFFAOYSA-N
XLogP3.18
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513750
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508772
N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513078
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
CID 19322664
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513124
3-(4-chlorophenyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19509481
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19296883
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513158
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19296706
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxybenzamide
CID 19296867
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19282946

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 19296886) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is CCn1ncc(Cl)c1CNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XVCKBDFSPUMWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-3-23-16(13(18)9-20-23)10-19-17(24)15-8-14(21-22-15)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,19,24)(H,21,22).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 343.82 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19296886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).