4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide

C10H18N4O2 — CID 65363321

IUPAC4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCC(C)(C)O)n1
InChIInChI=1S/C10H18N4O2/c1-4-14-5-7(11)8(13-14)9(15)12-6-10(2,3)16/h5,16H,4,6,11H2,1-3H3,(H,12,15)
InChIKeyXEXQJRTXRBHWHU-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.01
Rot. Bonds4

About 4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 65363321) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
PubChem CID65363321
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCC(C)(C)O)n1
InChIInChI=1S/C10H18N4O2/c1-4-14-5-7(11)8(13-14)9(15)12-6-10(2,3)16/h5,16H,4,6,11H2,1-3H3,(H,12,15)
InChIKeyXEXQJRTXRBHWHU-UHFFFAOYSA-N
XLogP-0.01
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
CID 114098963
4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 106139430
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide
CID 104827278
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
CID 114615025
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358786
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
CID 19620451
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 65357738
4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
CID 106899160
4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 114152424
4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 107229536

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide (CID 65363321) is 4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCC(C)(C)O)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is XEXQJRTXRBHWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-14-5-7(11)8(13-14)9(15)12-6-10(2,3)16/h5,16H,4,6,11H2,1-3H3,(H,12,15).
What are the key properties of 4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.01, 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-hydroxy-2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65363321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).