2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide

C11H20N4O2 — CID 110481411

IUPAC2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
SMILESCc1cc(NC(=O)C(N)C(C)C)n(CCO)n1
InChIInChI=1S/C11H20N4O2/c1-7(2)10(12)11(17)13-9-6-8(3)14-15(9)4-5-16/h6-7,10,16H,4-5,12H2,1-3H3,(H,13,17)
InChIKeyDYYGNCDDKAXKRD-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.11
Rot. Bonds5

About 2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide

2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide (PubChem CID 110481411) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
PubChem CID110481411
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
SMILESCc1cc(NC(=O)C(N)C(C)C)n(CCO)n1
InChIInChI=1S/C11H20N4O2/c1-7(2)10(12)11(17)13-9-6-8(3)14-15(9)4-5-16/h6-7,10,16H,4-5,12H2,1-3H3,(H,13,17)
InChIKeyDYYGNCDDKAXKRD-UHFFFAOYSA-N
XLogP0.11
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110479535
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol
CID 115925989
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
CID 130679371
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119680179
2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol
CID 115925988
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 110482309
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide
CID 110482110
(2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide
CID 134696339

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide (CID 110481411) is 2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide is Cc1cc(NC(=O)C(N)C(C)C)n(CCO)n1.
What is the InChIKey of 2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide?
The InChIKey is DYYGNCDDKAXKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(2)10(12)11(17)13-9-6-8(3)14-15(9)4-5-16/h6-7,10,16H,4-5,12H2,1-3H3,(H,13,17).
What are the key properties of 2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide?
2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide has a molecular weight of 240.31 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 110481411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).