5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide

C16H21N5O — CID 126824398

IUPAC5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCN1CCCC1c1cc(C(=O)NCCc2ccccn2)n[nH]1
InChIInChI=1S/C16H21N5O/c1-21-10-4-6-15(21)13-11-14(20-19-13)16(22)18-9-7-12-5-2-3-8-17-12/h2-3,5,8,11,15H,4,6-7,9-10H2,1H3,(H,18,22)(H,19,20)
InChIKeyWYVVTMLDFDSIEU-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.54
Rot. Bonds5

About 5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide

5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 126824398) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID126824398
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCN1CCCC1c1cc(C(=O)NCCc2ccccn2)n[nH]1
InChIInChI=1S/C16H21N5O/c1-21-10-4-6-15(21)13-11-14(20-19-13)16(22)18-9-7-12-5-2-3-8-17-12/h2-3,5,8,11,15H,4,6-7,9-10H2,1H3,(H,18,22)(H,19,20)
InChIKeyWYVVTMLDFDSIEU-UHFFFAOYSA-N
XLogP1.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166252601
5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 56711461
N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 167891189
N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 95840522
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71700787
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 96558079
5-(1-benzylpiperidin-2-yl)-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110268851
2-[(1-methylpiperidin-4-yl)amino]-N-(2-pyridin-2-ylethyl)acetamide
CID 143176576

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide (CID 126824398) is 5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide is CN1CCCC1c1cc(C(=O)NCCc2ccccn2)n[nH]1.
What is the InChIKey of 5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WYVVTMLDFDSIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-21-10-4-6-15(21)13-11-14(20-19-13)16(22)18-9-7-12-5-2-3-8-17-12/h2-3,5,8,11,15H,4,6-7,9-10H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide?
5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126824398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).