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

C11H20N4O2 — CID 79248265

IUPAC4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@H](CO)C(C)C)c1N
InChIInChI=1S/C11H20N4O2/c1-4-7-9(12)10(15-14-7)11(17)13-8(5-16)6(2)3/h6,8,16H,4-5,12H2,1-3H3,(H,13,17)(H,14,15)/t8-/m1/s1
InChIKeyNMRFQGWXYLDNTJ-MRVPVSSYSA-N
MW240.31 g/mol
LogP0.30
Rot. Bonds5

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

4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 79248265) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID79248265
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@H](CO)C(C)C)c1N
InChIInChI=1S/C11H20N4O2/c1-4-7-9(12)10(15-14-7)11(17)13-8(5-16)6(2)3/h6,8,16H,4-5,12H2,1-3H3,(H,13,17)(H,14,15)/t8-/m1/s1
InChIKeyNMRFQGWXYLDNTJ-MRVPVSSYSA-N
XLogP0.30
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide (CID 79248265) is 4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N[C@H](CO)C(C)C)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is NMRFQGWXYLDNTJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-7-9(12)10(15-14-7)11(17)13-8(5-16)6(2)3/h6,8,16H,4-5,12H2,1-3H3,(H,13,17)(H,14,15)/t8-/m1/s1.
What are the key properties of 4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 79248265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).