3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide

C13H22N4O2 — CID 54998501

IUPAC3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H22N4O2/c1-9-11(12(14)16-15-9)13(19)17(7-8-18)10-5-3-2-4-6-10/h10,18H,2-8H2,1H3,(H3,14,15,16)
InChIKeyLPQLKJGTQVGBLL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.07
Rot. Bonds4

About 3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide

3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 54998501) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID54998501
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H22N4O2/c1-9-11(12(14)16-15-9)13(19)17(7-8-18)10-5-3-2-4-6-10/h10,18H,2-8H2,1H3,(H3,14,15,16)
InChIKeyLPQLKJGTQVGBLL-UHFFFAOYSA-N
XLogP1.07
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 54998501) is 3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is LPQLKJGTQVGBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-11(12(14)16-15-9)13(19)17(7-8-18)10-5-3-2-4-6-10/h10,18H,2-8H2,1H3,(H3,14,15,16).
What are the key properties of 3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54998501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).