N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide

C13H21N3O2 — CID 55082650

IUPACN-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC1(CO)CCCCC1
InChIInChI=1S/C13H21N3O2/c17-11-13(6-2-1-3-7-13)15-12(18)5-10-16-9-4-8-14-16/h4,8-9,17H,1-3,5-7,10-11H2,(H,15,18)
InChIKeyNCQSZYPQIIFEEF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.08
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide

N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide (PubChem CID 55082650) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide
PubChem CID55082650
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC1(CO)CCCCC1
InChIInChI=1S/C13H21N3O2/c17-11-13(6-2-1-3-7-13)15-12(18)5-10-16-9-4-8-14-16/h4,8-9,17H,1-3,5-7,10-11H2,(H,15,18)
InChIKeyNCQSZYPQIIFEEF-UHFFFAOYSA-N
XLogP1.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide (CID 55082650) is N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is NCQSZYPQIIFEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-11-13(6-2-1-3-7-13)15-12(18)5-10-16-9-4-8-14-16/h4,8-9,17H,1-3,5-7,10-11H2,(H,15,18).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide?
N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 55082650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).