1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide

C22H28N4O2 — CID 4255211

IUPAC1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2cccn2C)nn1-c1ccc(OC)cc1
InChIInChI=1S/C22H28N4O2/c1-5-13-25(14-6-2)22(27)21-16-19(20-8-7-15-24(20)3)23-26(21)17-9-11-18(28-4)12-10-17/h7-12,15-16H,5-6,13-14H2,1-4H3
InChIKeyWKEGXKBHSADQBC-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.15
Rot. Bonds8

About 1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide

1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide (PubChem CID 4255211) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide
PubChem CID4255211
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2cccn2C)nn1-c1ccc(OC)cc1
InChIInChI=1S/C22H28N4O2/c1-5-13-25(14-6-2)22(27)21-16-19(20-8-7-15-24(20)3)23-26(21)17-9-11-18(28-4)12-10-17/h7-12,15-16H,5-6,13-14H2,1-4H3
InChIKeyWKEGXKBHSADQBC-UHFFFAOYSA-N
XLogP4.15
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 4266683
N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4266680
1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755325
1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 1053398
N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3434474
3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide
CID 42759279
3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide
CID 42758721
N,N-diethyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3919541
1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42758788
N-(2-cyanoethyl)-1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758769
N-benzyl-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3885248
1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 5203840

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide (CID 4255211) is 1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide is CCCN(CCC)C(=O)c1cc(-c2cccn2C)nn1-c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide?
The InChIKey is WKEGXKBHSADQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-5-13-25(14-6-2)22(27)21-16-19(20-8-7-15-24(20)3)23-26(21)17-9-11-18(28-4)12-10-17/h7-12,15-16H,5-6,13-14H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide?
1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide is sourced from PubChem (CID 4255211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).