N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C19H32N4O — CID 70715937

IUPACN-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2CCN(C3CCCC3)C2)n(C)n1
InChIInChI=1S/C19H32N4O/c1-14(2)10-16-11-18(22(3)21-16)19(24)20-12-15-8-9-23(13-15)17-6-4-5-7-17/h11,14-15,17H,4-10,12-13H2,1-3H3,(H,20,24)
InChIKeySNLIIBNWVITOAU-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.61
Rot. Bonds6

About N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70715937) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70715937
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2CCN(C3CCCC3)C2)n(C)n1
InChIInChI=1S/C19H32N4O/c1-14(2)10-16-11-18(22(3)21-16)19(24)20-12-15-8-9-23(13-15)17-6-4-5-7-17/h11,14-15,17H,4-10,12-13H2,1-3H3,(H,20,24)
InChIKeySNLIIBNWVITOAU-UHFFFAOYSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide with MolForge

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Related Compounds

US10022354, Example 152
CID 121279737
LmCPB-IN-1
CID 145974244
US10022354, Example 123
CID 121279532
US10022354, Example 168
CID 132070206
US10022354, Example 27
CID 121279544
N,3-ditert-butyl-1-pentylpyrazole-5-carboxamide
CID 141747275
(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 146672995
2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
CID 137634783
3-tert-butyl-N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162660749
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162665461
N,5-ditert-butyl-1-pentylpyrazole-3-carboxamide
CID 162668036
5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
CID 162677250

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70715937) is N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)NCC2CCN(C3CCCC3)C2)n(C)n1.
What is the InChIKey of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is SNLIIBNWVITOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-14(2)10-16-11-18(22(3)21-16)19(24)20-12-15-8-9-23(13-15)17-6-4-5-7-17/h11,14-15,17H,4-10,12-13H2,1-3H3,(H,20,24).
What are the key properties of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70715937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).