N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide

C21H22ClN3O2 — CID 42759382

IUPACN-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccccc2Cl)nn1-c1ccc(OC)cc1
InChIInChI=1S/C21H22ClN3O2/c1-4-14(2)23-21(26)20-13-19(17-7-5-6-8-18(17)22)24-25(20)15-9-11-16(27-3)12-10-15/h5-14H,4H2,1-3H3,(H,23,26)
InChIKeyBBRURJRDCOPRAV-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.73
Rot. Bonds6

About N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide

N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 42759382) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID42759382
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccccc2Cl)nn1-c1ccc(OC)cc1
InChIInChI=1S/C21H22ClN3O2/c1-4-14(2)23-21(26)20-13-19(17-7-5-6-8-18(17)22)24-25(20)15-9-11-16(27-3)12-10-15/h5-14H,4H2,1-3H3,(H,23,26)
InChIKeyBBRURJRDCOPRAV-UHFFFAOYSA-N
XLogP4.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 7412332
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide
CID 42759384
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42759391
3-(2-fluorophenyl)-1-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42754820
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide
CID 7347444
N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 42754822
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
N-[(2R)-butan-2-yl]-3-(4-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 7417753
N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009055
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4262770
N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 95099138

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide (CID 42759382) is N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide is CCC(C)NC(=O)c1cc(-c2ccccc2Cl)nn1-c1ccc(OC)cc1.
What is the InChIKey of N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is BBRURJRDCOPRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-4-14(2)23-21(26)20-13-19(17-7-5-6-8-18(17)22)24-25(20)15-9-11-16(27-3)12-10-15/h5-14H,4H2,1-3H3,(H,23,26).
What are the key properties of N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide?
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42759382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).