4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide

C11H20N4O2 — CID 114176687

IUPAC4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C11H20N4O2/c1-11(2,3)8(4-5-16)14-10(17)9-7(12)6-13-15-9/h6,8,16H,4-5,12H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyKMSXKKVBZIAQHQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.52
Rot. Bonds4

About 4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide

4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 114176687) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID114176687
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C11H20N4O2/c1-11(2,3)8(4-5-16)14-10(17)9-7(12)6-13-15-9/h6,8,16H,4-5,12H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyKMSXKKVBZIAQHQ-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide
CID 107210477
4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide
CID 64570387
4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 55178217
4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide
CID 106347925
4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 82944742
4-amino-N-but-3-yn-2-yl-1H-pyrazole-5-carboxamide
CID 114414627
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
N-(1-amino-4,4-dimethylpentan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106357237
3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347949
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 63102891
3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347840

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide (CID 114176687) is 4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide is CC(C)(C)C(CCO)NC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is KMSXKKVBZIAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)8(4-5-16)14-10(17)9-7(12)6-13-15-9/h6,8,16H,4-5,12H2,1-3H3,(H,13,15)(H,14,17).
What are the key properties of 4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide?
4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.52, 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-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 114176687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).