N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C22H27N5O — CID 20936812

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1
InChIInChI=1S/C22H27N5O/c1-3-25-13-7-10-19(25)15-23-21(28)20-16-24-27(18-9-6-8-17(2)14-18)22(20)26-11-4-5-12-26/h4-6,8-9,11-12,14,16,19H,3,7,10,13,15H2,1-2H3,(H,23,28)
InChIKeyMBKACXMGEORAKE-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.19
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20936812) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20936812
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1
InChIInChI=1S/C22H27N5O/c1-3-25-13-7-10-19(25)15-23-21(28)20-16-24-27(18-9-6-8-17(2)14-18)22(20)26-11-4-5-12-26/h4-6,8-9,11-12,14,16,19H,3,7,10,13,15H2,1-2H3,(H,23,28)
InChIKeyMBKACXMGEORAKE-UHFFFAOYSA-N
XLogP3.19
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936756
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016639
N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936842
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936768
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773
N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 37036339
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 125144966
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53015687
N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
N-(2-chlorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936757
N-[(2S)-butan-2-yl]-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 40660594

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20936812) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CCN1CCCC1CNC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is MBKACXMGEORAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-25-13-7-10-19(25)15-23-21(28)20-16-24-27(18-9-6-8-17(2)14-18)22(20)26-11-4-5-12-26/h4-6,8-9,11-12,14,16,19H,3,7,10,13,15H2,1-2H3,(H,23,28).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20936812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).