1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide

C15H24N4O2 — CID 99852379

IUPAC1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCO[C@H]1CNC[C@H]1NC(=O)c1cnn(C2CCCC2)c1C
InChIInChI=1S/C15H24N4O2/c1-10-12(7-17-19(10)11-5-3-4-6-11)15(20)18-13-8-16-9-14(13)21-2/h7,11,13-14,16H,3-6,8-9H2,1-2H3,(H,18,20)/t13-,14+/m1/s1
InChIKeyDXVUOYBONLJMLE-KGLIPLIRSA-N
MW292.38 g/mol
LogP1.02
Rot. Bonds4

About 1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide

1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 99852379) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide
PubChem CID99852379
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCO[C@H]1CNC[C@H]1NC(=O)c1cnn(C2CCCC2)c1C
InChIInChI=1S/C15H24N4O2/c1-10-12(7-17-19(10)11-5-3-4-6-11)15(20)18-13-8-16-9-14(13)21-2/h7,11,13-14,16H,3-6,8-9H2,1-2H3,(H,18,20)/t13-,14+/m1/s1
InChIKeyDXVUOYBONLJMLE-KGLIPLIRSA-N
XLogP1.02
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide (CID 99852379) is 1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide is CO[C@H]1CNC[C@H]1NC(=O)c1cnn(C2CCCC2)c1C.
What is the InChIKey of 1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is DXVUOYBONLJMLE-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-12(7-17-19(10)11-5-3-4-6-11)15(20)18-13-8-16-9-14(13)21-2/h7,11,13-14,16H,3-6,8-9H2,1-2H3,(H,18,20)/t13-,14+/m1/s1.
What are the key properties of 1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide?
1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 99852379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).