4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide

C11H20N4O2 — CID 79248487

IUPAC4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC(CO)C(C)C
InChIInChI=1S/C11H20N4O2/c1-4-15-10(8(12)5-13-15)11(17)14-9(6-16)7(2)3/h5,7,9,16H,4,6,12H2,1-3H3,(H,14,17)
InChIKeyIKIUVLNNTSGZCU-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.23
Rot. Bonds5

About 4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide

4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide (PubChem CID 79248487) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide
PubChem CID79248487
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC(CO)C(C)C
InChIInChI=1S/C11H20N4O2/c1-4-15-10(8(12)5-13-15)11(17)14-9(6-16)7(2)3/h5,7,9,16H,4,6,12H2,1-3H3,(H,14,17)
InChIKeyIKIUVLNNTSGZCU-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide
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4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
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4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 79248411
4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 132586738
4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
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4-amino-1-ethyl-N-(1-thiophen-2-ylbutyl)pyrazole-5-carboxamide
CID 65358853
4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide
CID 65357225
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CID 65359199

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide (CID 79248487) is 4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NC(CO)C(C)C.
What is the InChIKey of 4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide?
The InChIKey is IKIUVLNNTSGZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-15-10(8(12)5-13-15)11(17)14-9(6-16)7(2)3/h5,7,9,16H,4,6,12H2,1-3H3,(H,14,17).
What are the key properties of 4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.23, 5 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-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 79248487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).