N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide

C14H16ClN3O — CID 123777570

IUPACN-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2cccc(Cl)c2)cnn1C
InChIInChI=1S/C14H16ClN3O/c1-9(2)13-12(8-16-18(13)3)14(19)17-11-6-4-5-10(15)7-11/h4-9H,1-3H3,(H,17,19)
InChIKeyAVTYCYFQICBQDL-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.45
Rot. Bonds3

About N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide

N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 123777570) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID123777570
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2cccc(Cl)c2)cnn1C
InChIInChI=1S/C14H16ClN3O/c1-9(2)13-12(8-16-18(13)3)14(19)17-11-6-4-5-10(15)7-11/h4-9H,1-3H3,(H,17,19)
InChIKeyAVTYCYFQICBQDL-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31812512
N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823088
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112816075
1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 37438164
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31814455
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31862135
N-[1-(3-acetamidophenyl)ethyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46581987
N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691306
1-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39677997
N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39575068

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide (CID 123777570) is N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2cccc(Cl)c2)cnn1C.
What is the InChIKey of N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is AVTYCYFQICBQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9(2)13-12(8-16-18(13)3)14(19)17-11-6-4-5-10(15)7-11/h4-9H,1-3H3,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 123777570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).