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

C16H25N3O3 — CID 70760698

IUPAC5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C16H25N3O3/c1-2-22-14-10-21-9-13(14)18-16(20)12-8-17-19-15(12)11-6-4-3-5-7-11/h8,11,13-14H,2-7,9-10H2,1H3,(H,17,19)(H,18,20)/t13-,14-/m0/s1
InChIKeyAUNLTPSKUCVQHE-KBPBESRZSA-N
MW307.39 g/mol
LogP1.99
Rot. Bonds5

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

5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 70760698) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID70760698
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C16H25N3O3/c1-2-22-14-10-21-9-13(14)18-16(20)12-8-17-19-15(12)11-6-4-3-5-7-11/h8,11,13-14H,2-7,9-10H2,1H3,(H,17,19)(H,18,20)/t13-,14-/m0/s1
InChIKeyAUNLTPSKUCVQHE-KBPBESRZSA-N
XLogP1.99
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.99
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,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide (CID 70760698) is 5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide is CCO[C@H]1COC[C@@H]1NC(=O)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is AUNLTPSKUCVQHE-KBPBESRZSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-22-14-10-21-9-13(14)18-16(20)12-8-17-19-15(12)11-6-4-3-5-7-11/h8,11,13-14H,2-7,9-10H2,1H3,(H,17,19)(H,18,20)/t13-,14-/m0/s1.
What are the key properties of 5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.99, 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,4R)-4-ethoxyoxolan-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70760698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).