1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide

C14H16ClN3O2 — CID 78855753

IUPAC1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)O)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c1-9(19)7-16-14(20)13-8-17-18(10(13)2)12-5-3-4-11(15)6-12/h3-6,8-9,19H,7H2,1-2H3,(H,16,20)
InChIKeyXXXCSAAEMBXJFA-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.94
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide (PubChem CID 78855753) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
PubChem CID78855753
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)O)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c1-9(19)7-16-14(20)13-8-17-18(10(13)2)12-5-3-4-11(15)6-12/h3-6,8-9,19H,7H2,1-2H3,(H,16,20)
InChIKeyXXXCSAAEMBXJFA-UHFFFAOYSA-N
XLogP1.94
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119997822
1-(3-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 31899138
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]butanoic acid
CID 119223906
1-(3-chlorophenyl)-N,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 134059030
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 119199529
1-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylurea
CID 86835858
1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119512036
1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-2-ethylbutan-1-one
CID 134561020
1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119512035
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119598750
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119209354

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide (CID 78855753) is 1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCC(C)O)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is XXXCSAAEMBXJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9(19)7-16-14(20)13-8-17-18(10(13)2)12-5-3-4-11(15)6-12/h3-6,8-9,19H,7H2,1-2H3,(H,16,20).
What are the key properties of 1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 78855753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).