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

C12H19N3O2 — CID 55081857

IUPACN-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC1(CO)CCCC1
InChIInChI=1S/C12H19N3O2/c16-10-12(5-1-2-6-12)14-11(17)4-9-15-8-3-7-13-15/h3,7-8,16H,1-2,4-6,9-10H2,(H,14,17)
InChIKeyOKKZDPPYTLZFCV-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.69
Rot. Bonds5

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

N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide (PubChem CID 55081857) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide
PubChem CID55081857
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC1(CO)CCCC1
InChIInChI=1S/C12H19N3O2/c16-10-12(5-1-2-6-12)14-11(17)4-9-15-8-3-7-13-15/h3,7-8,16H,1-2,4-6,9-10H2,(H,14,17)
InChIKeyOKKZDPPYTLZFCV-UHFFFAOYSA-N
XLogP0.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide (CID 55081857) is N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is OKKZDPPYTLZFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-10-12(5-1-2-6-12)14-11(17)4-9-15-8-3-7-13-15/h3,7-8,16H,1-2,4-6,9-10H2,(H,14,17).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide?
N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 55081857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).