4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide

C13H22N4O2 — CID 106358691

IUPAC4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1CCCCC1CO
InChIInChI=1S/C13H22N4O2/c1-2-17-12(10(14)7-15-17)13(19)16-11-6-4-3-5-9(11)8-18/h7,9,11,18H,2-6,8,14H2,1H3,(H,16,19)
InChIKeyYTJATUWYBLUXFM-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.77
Rot. Bonds4

About 4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide (PubChem CID 106358691) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
PubChem CID106358691
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1CCCCC1CO
InChIInChI=1S/C13H22N4O2/c1-2-17-12(10(14)7-15-17)13(19)16-11-6-4-3-5-9(11)8-18/h7,9,11,18H,2-6,8,14H2,1H3,(H,16,19)
InChIKeyYTJATUWYBLUXFM-UHFFFAOYSA-N
XLogP0.77
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-(2-methoxycyclopentyl)pyrazole-5-carboxamide
CID 65358909
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
4-amino-1-ethyl-N-[(2-methylcyclohexyl)methyl]pyrazole-5-carboxamide
CID 65358665
4-amino-1-ethyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
CID 65358906
4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide
CID 103062218
1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106364536
4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide
CID 65358956
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide
CID 65357083
4-amino-N-(1-cyclohexylpropyl)-1-ethylpyrazole-5-carboxamide
CID 65358575
N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide
CID 114284665
4-amino-1-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-5-carboxamide
CID 65359155
4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 65358960

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide (CID 106358691) is 4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NC1CCCCC1CO.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
The InChIKey is YTJATUWYBLUXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-17-12(10(14)7-15-17)13(19)16-11-6-4-3-5-9(11)8-18/h7,9,11,18H,2-6,8,14H2,1H3,(H,16,19).
What are the key properties of 4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide is sourced from PubChem (CID 106358691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).