[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone

C17H26N4O — CID 72845696

IUPAC[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
SMILESN[C@H]1CN(C(=O)c2cn[nH]c2C2CCCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C17H26N4O/c18-15-10-21(9-14(15)11-6-7-11)17(22)13-8-19-20-16(13)12-4-2-1-3-5-12/h8,11-12,14-15H,1-7,9-10,18H2,(H,19,20)/t14-,15+/m1/s1
InChIKeyNOWOKQNVSLCOQH-CABCVRRESA-N
MW302.42 g/mol
LogP2.27
Rot. Bonds3

About [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone

[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone (PubChem CID 72845696) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
PubChem CID72845696
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
SMILESN[C@H]1CN(C(=O)c2cn[nH]c2C2CCCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C17H26N4O/c18-15-10-21(9-14(15)11-6-7-11)17(22)13-8-19-20-16(13)12-4-2-1-3-5-12/h8,11-12,14-15H,1-7,9-10,18H2,(H,19,20)/t14-,15+/m1/s1
InChIKeyNOWOKQNVSLCOQH-CABCVRRESA-N
XLogP2.27
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone (CID 72845696) is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone is N[C@H]1CN(C(=O)c2cn[nH]c2C2CCCCC2)C[C@@H]1C1CC1.
What is the InChIKey of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone?
The InChIKey is NOWOKQNVSLCOQH-CABCVRRESA-N. The full InChI is InChI=1S/C17H26N4O/c18-15-10-21(9-14(15)11-6-7-11)17(22)13-8-19-20-16(13)12-4-2-1-3-5-12/h8,11-12,14-15H,1-7,9-10,18H2,(H,19,20)/t14-,15+/m1/s1.
What are the key properties of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone?
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 72845696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).