4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide

C13H22N4O2 — CID 107211287

IUPAC4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H22N4O2/c1-3-17-12(11(14)8(2)16-17)13(19)15-9-6-4-5-7-10(9)18/h9-10,18H,3-7,14H2,1-2H3,(H,15,19)/t9-,10-/m0/s1
InChIKeyHVUGGIAXZOBJTO-UWVGGRQHSA-N
MW266.34 g/mol
LogP0.83
Rot. Bonds3

About 4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide

4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide (PubChem CID 107211287) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide
PubChem CID107211287
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H22N4O2/c1-3-17-12(11(14)8(2)16-17)13(19)15-9-6-4-5-7-10(9)18/h9-10,18H,3-7,14H2,1-2H3,(H,15,19)/t9-,10-/m0/s1
InChIKeyHVUGGIAXZOBJTO-UWVGGRQHSA-N
XLogP0.83
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66125408
4-amino-N-cyclobutyl-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66124672
4-amino-1-ethyl-N-(3-ethyl-2-methylcyclopentyl)-3-methylpyrazole-5-carboxamide
CID 66123520
4-amino-1-ethyl-3-methyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide
CID 66124433
4-amino-1-ethyl-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-5-carboxamide
CID 79352013
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123131
cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124109
4-amino-1-ethyl-3-methyl-N-(thiolan-2-ylmethyl)pyrazole-5-carboxamide
CID 80585058
1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide
CID 146043892
4-amino-1-ethyl-N-(3-ethylpentan-2-yl)-3-methylpyrazole-5-carboxamide
CID 66125647
4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide
CID 66124652

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide (CID 107211287) is 4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide?
The InChIKey is HVUGGIAXZOBJTO-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-17-12(11(14)8(2)16-17)13(19)15-9-6-4-5-7-10(9)18/h9-10,18H,3-7,14H2,1-2H3,(H,15,19)/t9-,10-/m0/s1.
What are the key properties of 4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.83, 3 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-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 107211287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).