N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide

C13H21N3O2 — CID 115759708

IUPACN-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2(O)CCCC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-10-8-11(16(3)14-10)12(17)15(2)9-13(18)6-4-5-7-13/h8,18H,4-7,9H2,1-3H3
InChIKeyRYDQKJOXVKPHRS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds3

About N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 115759708) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID115759708
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2(O)CCCC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-10-8-11(16(3)14-10)12(17)15(2)9-13(18)6-4-5-7-13/h8,18H,4-7,9H2,1-3H3
InChIKeyRYDQKJOXVKPHRS-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 115759708) is N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CC2(O)CCCC2)n(C)n1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is RYDQKJOXVKPHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-8-11(16(3)14-10)12(17)15(2)9-13(18)6-4-5-7-13/h8,18H,4-7,9H2,1-3H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 115759708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).