N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide

C17H28N4O — CID 72883311

IUPACN-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCC(C)[C@H]1CN(C2CCCC2)C[C@@H]1NC(=O)c1ccnn1C
InChIInChI=1S/C17H28N4O/c1-12(2)14-10-21(13-6-4-5-7-13)11-15(14)19-17(22)16-8-9-18-20(16)3/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,19,22)/t14-,15+/m1/s1
InChIKeyRGUSWLIYWFERAV-CABCVRRESA-N
MW304.44 g/mol
LogP2.05
Rot. Bonds4

About N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide

N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 72883311) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
PubChem CID72883311
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCC(C)[C@H]1CN(C2CCCC2)C[C@@H]1NC(=O)c1ccnn1C
InChIInChI=1S/C17H28N4O/c1-12(2)14-10-21(13-6-4-5-7-13)11-15(14)19-17(22)16-8-9-18-20(16)3/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,19,22)/t14-,15+/m1/s1
InChIKeyRGUSWLIYWFERAV-CABCVRRESA-N
XLogP2.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide (CID 72883311) is N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide is CC(C)[C@H]1CN(C2CCCC2)C[C@@H]1NC(=O)c1ccnn1C.
What is the InChIKey of N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is RGUSWLIYWFERAV-CABCVRRESA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)14-10-21(13-6-4-5-7-13)11-15(14)19-17(22)16-8-9-18-20(16)3/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,19,22)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide?
N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-cyclopentyl-4-propan-2-ylpyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 72883311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).