N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide

C18H25N5O2 — CID 136952221

IUPACN-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NC3CCCC3)c2C)n1
InChIInChI=1S/C18H25N5O2/c1-11-10-17(25)21-18(19-11)23-13(3)15(12(2)22-23)8-9-16(24)20-14-6-4-5-7-14/h10,14H,4-9H2,1-3H3,(H,20,24)(H,19,21,25)
InChIKeyCSRJVBJRVDHWLO-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.87
Rot. Bonds5

About N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide

N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide (PubChem CID 136952221) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
PubChem CID136952221
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NC3CCCC3)c2C)n1
InChIInChI=1S/C18H25N5O2/c1-11-10-17(25)21-18(19-11)23-13(3)15(12(2)22-23)8-9-16(24)20-14-6-4-5-7-14/h10,14H,4-9H2,1-3H3,(H,20,24)(H,19,21,25)
InChIKeyCSRJVBJRVDHWLO-UHFFFAOYSA-N
XLogP1.87
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide 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-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide (CID 136952221) is N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NC3CCCC3)c2C)n1.
What is the InChIKey of N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
The InChIKey is CSRJVBJRVDHWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-10-17(25)21-18(19-11)23-13(3)15(12(2)22-23)8-9-16(24)20-14-6-4-5-7-14/h10,14H,4-9H2,1-3H3,(H,20,24)(H,19,21,25).
What are the key properties of N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide?
N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 136952221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).