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

C23H29N5O — CID 3904100

IUPAC1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccn3C)cc2C(=O)NCCN2CCCC2)c(C)c1
InChIInChI=1S/C23H29N5O/c1-17-8-9-20(18(2)15-17)28-22(16-19(25-28)21-7-6-11-26(21)3)23(29)24-10-14-27-12-4-5-13-27/h6-9,11,15-16H,4-5,10,12-14H2,1-3H3,(H,24,29)
InChIKeyKAMTYMGMOLMMSP-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.32
Rot. Bonds6

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

1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 3904100) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
PubChem CID3904100
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccn3C)cc2C(=O)NCCN2CCCC2)c(C)c1
InChIInChI=1S/C23H29N5O/c1-17-8-9-20(18(2)15-17)28-22(16-19(25-28)21-7-6-11-26(21)3)23(29)24-10-14-27-12-4-5-13-27/h6-9,11,15-16H,4-5,10,12-14H2,1-3H3,(H,24,29)
InChIKeyKAMTYMGMOLMMSP-UHFFFAOYSA-N
XLogP3.32
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 5029011
1-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4316534
1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758968
1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 4297341
1-(2,4-dimethylphenyl)-N-ethoxy-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4202277
N-butyl-1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4045506
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4046396
3-(2-chlorophenyl)-1-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 4527273
N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3603848
3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 812224
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053861
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755464

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide (CID 3904100) is 1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3cccn3C)cc2C(=O)NCCN2CCCC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
The InChIKey is KAMTYMGMOLMMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17-8-9-20(18(2)15-17)28-22(16-19(25-28)21-7-6-11-26(21)3)23(29)24-10-14-27-12-4-5-13-27/h6-9,11,15-16H,4-5,10,12-14H2,1-3H3,(H,24,29).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3904100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).