3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide

C19H26N4O — CID 812224

IUPAC3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCN3CCCC3)n(C)n2)cc1C
InChIInChI=1S/C19H26N4O/c1-14-6-7-16(12-15(14)2)17-13-18(22(3)21-17)19(24)20-8-11-23-9-4-5-10-23/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,20,24)
InChIKeyNOIHZCDWRPVNNQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.53
Rot. Bonds5

About 3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide

3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 812224) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
PubChem CID812224
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCN3CCCC3)n(C)n2)cc1C
InChIInChI=1S/C19H26N4O/c1-14-6-7-16(12-15(14)2)17-13-18(22(3)21-17)19(24)20-8-11-23-9-4-5-10-23/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,20,24)
InChIKeyNOIHZCDWRPVNNQ-UHFFFAOYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46105482
3-(3,4-dimethylphenyl)-1-(4-nitrophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758402
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
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3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755464
1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 3904100
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758609
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66127121
1-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4316534
1-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 5029011

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide (CID 812224) is 3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCCN3CCCC3)n(C)n2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
The InChIKey is NOIHZCDWRPVNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-6-7-16(12-15(14)2)17-13-18(22(3)21-17)19(24)20-8-11-23-9-4-5-10-23/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,20,24).
What are the key properties of 3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 812224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).