5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide

C17H28N4O2 — CID 70752265

IUPAC5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C17H28N4O2/c1-3-23-15-11-21(2)10-14(15)19-17(22)13-9-18-20-16(13)12-7-5-4-6-8-12/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,18,20)(H,19,22)/t14-,15-/m0/s1
InChIKeyVCFUUKJXDLDAON-GJZGRUSLSA-N
MW320.44 g/mol
LogP1.91
Rot. Bonds5

About 5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide

5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 70752265) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID70752265
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C17H28N4O2/c1-3-23-15-11-21(2)10-14(15)19-17(22)13-9-18-20-16(13)12-7-5-4-6-8-12/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,18,20)(H,19,22)/t14-,15-/m0/s1
InChIKeyVCFUUKJXDLDAON-GJZGRUSLSA-N
XLogP1.91
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide (CID 70752265) is 5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide is CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is VCFUUKJXDLDAON-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-23-15-11-21(2)10-14(15)19-17(22)13-9-18-20-16(13)12-7-5-4-6-8-12/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,18,20)(H,19,22)/t14-,15-/m0/s1.
What are the key properties of 5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70752265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).