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

C14H16ClN3O — CID 55554809

IUPACN-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C14H16ClN3O/c1-2-4-12-8-13(18-17-12)14(19)16-9-10-5-3-6-11(15)7-10/h3,5-8H,2,4,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyPVYJPISAIIWMSF-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.95
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 55554809) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID55554809
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C14H16ClN3O/c1-2-4-12-8-13(18-17-12)14(19)16-9-10-5-3-6-11(15)7-10/h3,5-8H,2,4,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyPVYJPISAIIWMSF-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246
N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 32535295
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 87045448
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 71886757
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CID 36701505
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 70751626
N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 25353565
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
CID 24671907
N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 86840228

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 55554809) is N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NCc2cccc(Cl)c2)n[nH]1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is PVYJPISAIIWMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-4-12-8-13(18-17-12)14(19)16-9-10-5-3-6-11(15)7-10/h3,5-8H,2,4,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55554809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).