4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide

C12H22N4O2 — CID 106139377

IUPAC4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC(C)(C)CCCO)c1N
InChIInChI=1S/C12H22N4O2/c1-8-9(13)10(16-15-8)11(18)14-7-12(2,3)5-4-6-17/h17H,4-7,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyNUQBDKBWMPBFMS-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.83
Rot. Bonds6

About 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 106139377) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID106139377
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC(C)(C)CCCO)c1N
InChIInChI=1S/C12H22N4O2/c1-8-9(13)10(16-15-8)11(18)14-7-12(2,3)5-4-6-17/h17H,4-7,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyNUQBDKBWMPBFMS-UHFFFAOYSA-N
XLogP0.83
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080909
4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 65103807
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 66170407
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 103825509
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide
CID 106139412
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
CID 83202712
4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62081384
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980
4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 106139430
4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64570786

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 106139377) is 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCC(C)(C)CCCO)c1N.
What is the InChIKey of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is NUQBDKBWMPBFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8-9(13)10(16-15-8)11(18)14-7-12(2,3)5-4-6-17/h17H,4-7,13H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106139377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).