N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide

C16H27N3O2 — CID 125144193

IUPACN-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NC[C@@H](CO)C2CCCCC2)n1
InChIInChI=1S/C16H27N3O2/c1-12(2)19-9-8-15(18-19)16(21)17-10-14(11-20)13-6-4-3-5-7-13/h8-9,12-14,20H,3-7,10-11H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyBXPRIJWZXNTAQP-AWEZNQCLSA-N
MW293.41 g/mol
LogP2.38
Rot. Bonds6

About N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 125144193) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID125144193
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NC[C@@H](CO)C2CCCCC2)n1
InChIInChI=1S/C16H27N3O2/c1-12(2)19-9-8-15(18-19)16(21)17-10-14(11-20)13-6-4-3-5-7-13/h8-9,12-14,20H,3-7,10-11H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyBXPRIJWZXNTAQP-AWEZNQCLSA-N
XLogP2.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 125144193) is N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)NC[C@@H](CO)C2CCCCC2)n1.
What is the InChIKey of N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is BXPRIJWZXNTAQP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)19-9-8-15(18-19)16(21)17-10-14(11-20)13-6-4-3-5-7-13/h8-9,12-14,20H,3-7,10-11H2,1-2H3,(H,17,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 125144193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).