5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide

C16H18ClN3O2 — CID 166247364

IUPAC5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCOC1CC(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClN3O2/c1-22-13-6-10(7-13)8-18-16(21)14-9-19-20-15(14)11-2-4-12(17)5-3-11/h2-5,9-10,13H,6-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyLSXNACGQCNCVEL-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.88
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 166247364) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID166247364
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCOC1CC(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClN3O2/c1-22-13-6-10(7-13)8-18-16(21)14-9-19-20-15(14)11-2-4-12(17)5-3-11/h2-5,9-10,13H,6-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyLSXNACGQCNCVEL-UHFFFAOYSA-N
XLogP2.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]hexanoate
CID 29493001
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CID 30544747
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CID 71879874
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CID 17429031
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide (CID 166247364) is 5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide is COC1CC(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LSXNACGQCNCVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-22-13-6-10(7-13)8-18-16(21)14-9-19-20-15(14)11-2-4-12(17)5-3-11/h2-5,9-10,13H,6-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166247364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).