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

C13H24N4O2 — CID 106164095

IUPAC4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C13H24N4O2/c1-5-13(4,6-7-18)15-12(19)11-9(14)10(8(2)3)16-17-11/h8,18H,5-7,14H2,1-4H3,(H,15,19)(H,16,17)
InChIKeyFXCDYSFZWQFRDM-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.40
Rot. Bonds6

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

4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 106164095) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID106164095
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C13H24N4O2/c1-5-13(4,6-7-18)15-12(19)11-9(14)10(8(2)3)16-17-11/h8,18H,5-7,14H2,1-4H3,(H,15,19)(H,16,17)
InChIKeyFXCDYSFZWQFRDM-UHFFFAOYSA-N
XLogP1.40
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076553
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
4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 114152424
N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110002144
ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate
CID 55033924
4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075103
4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106174563
4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077044
3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
CID 99697185
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55033876
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide
CID 106176135

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 106164095) is 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CCC(C)(CCO)NC(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is FXCDYSFZWQFRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-13(4,6-7-18)15-12(19)11-9(14)10(8(2)3)16-17-11/h8,18H,5-7,14H2,1-4H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.40, 6 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-3-methylpentan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106164095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).