N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C17H25N5O2 — CID 111604022

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCC(O)C2CCCC2)[nH]n1
InChIInChI=1S/C17H25N5O2/c1-10-16(11(2)22(3)21-10)13-8-14(20-19-13)17(24)18-9-15(23)12-6-4-5-7-12/h8,12,15,23H,4-7,9H2,1-3H3,(H,18,24)(H,19,20)
InChIKeyHMMTVSGSKVAVCA-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.71
Rot. Bonds5

About N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 111604022) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID111604022
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCC(O)C2CCCC2)[nH]n1
InChIInChI=1S/C17H25N5O2/c1-10-16(11(2)22(3)21-10)13-8-14(20-19-13)17(24)18-9-15(23)12-6-4-5-7-12/h8,12,15,23H,4-7,9H2,1-3H3,(H,18,24)(H,19,20)
InChIKeyHMMTVSGSKVAVCA-UHFFFAOYSA-N
XLogP1.71
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-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-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 111604022) is N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NCC(O)C2CCCC2)[nH]n1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is HMMTVSGSKVAVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10-16(11(2)22(3)21-10)13-8-14(20-19-13)17(24)18-9-15(23)12-6-4-5-7-12/h8,12,15,23H,4-7,9H2,1-3H3,(H,18,24)(H,19,20).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 111604022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).