4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C11H20N4O2 — CID 62076553

IUPAC4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC(C)(C)CO)c1N
InChIInChI=1S/C11H20N4O2/c1-6(2)8-7(12)9(15-14-8)10(17)13-11(3,4)5-16/h6,16H,5,12H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyKXDWAAFTTCTVBR-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.62
Rot. Bonds4

About 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62076553) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62076553
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC(C)(C)CO)c1N
InChIInChI=1S/C11H20N4O2/c1-6(2)8-7(12)9(15-14-8)10(17)13-11(3,4)5-16/h6,16H,5,12H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyKXDWAAFTTCTVBR-UHFFFAOYSA-N
XLogP0.62
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106164095
4-amino-N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 104758271
4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076723
N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 119523751
N-(1-amino-2-methylpropan-2-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119523750
4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63010551
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55033876
4-amino-N-(3-cyclopentylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106006372
ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate
CID 55033924
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 106095333
4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 55033955
4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077044

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62076553) is 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NC(C)(C)CO)c1N.
What is the InChIKey of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is KXDWAAFTTCTVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6(2)8-7(12)9(15-14-8)10(17)13-11(3,4)5-16/h6,16H,5,12H2,1-4H3,(H,13,17)(H,14,15).
What are the key properties of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).