2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide

C21H33N5O2 — CID 131896188

IUPAC2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCCN(C(=O)C2(N3CCCC3)CCCC2)C1
InChIInChI=1S/C21H33N5O2/c1-24-18(8-11-23-24)19(27)22-15-17-7-6-12-25(16-17)20(28)21(9-2-3-10-21)26-13-4-5-14-26/h8,11,17H,2-7,9-10,12-16H2,1H3,(H,22,27)
InChIKeyJABLNOBJEIZDRQ-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide

2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide (PubChem CID 131896188) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide
PubChem CID131896188
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCCN(C(=O)C2(N3CCCC3)CCCC2)C1
InChIInChI=1S/C21H33N5O2/c1-24-18(8-11-23-24)19(27)22-15-17-7-6-12-25(16-17)20(28)21(9-2-3-10-21)26-13-4-5-14-26/h8,11,17H,2-7,9-10,12-16H2,1H3,(H,22,27)
InChIKeyJABLNOBJEIZDRQ-UHFFFAOYSA-N
XLogP1.80
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
CID 166874447
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 95043723
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 126814045
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)pyrazole-3-carboxamide
CID 129006386
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 91945694
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 97465236
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 136524248
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119379296
(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79060145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide (CID 131896188) is 2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NCC1CCCN(C(=O)C2(N3CCCC3)CCCC2)C1.
What is the InChIKey of 2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is JABLNOBJEIZDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-24-18(8-11-23-24)19(27)22-15-17-7-6-12-25(16-17)20(28)21(9-2-3-10-21)26-13-4-5-14-26/h8,11,17H,2-7,9-10,12-16H2,1H3,(H,22,27).
What are the key properties of 2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide?
2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(1-pyrrolidin-1-ylcyclopentanecarbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131896188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).