4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide

C12H22N4O2 — CID 106139412

IUPAC4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCC(C)(C)CCCO)n1
InChIInChI=1S/C12H22N4O2/c1-12(2,5-4-6-17)8-14-11(18)10-9(13)7-16(3)15-10/h7,17H,4-6,8,13H2,1-3H3,(H,14,18)
InChIKeyASCYWJHRLSUVJD-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.53
Rot. Bonds6

About 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide (PubChem CID 106139412) 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)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide
PubChem CID106139412
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCC(C)(C)CCCO)n1
InChIInChI=1S/C12H22N4O2/c1-12(2,5-4-6-17)8-14-11(18)10-9(13)7-16(3)15-10/h7,17H,4-6,8,13H2,1-3H3,(H,14,18)
InChIKeyASCYWJHRLSUVJD-UHFFFAOYSA-N
XLogP0.53
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 106139430
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 66169769
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
CID 65354139
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 106139377
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
N-(5-bromo-2,2-dimethylpentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 106145643
4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide
CID 131241275
4-amino-1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 106139336

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide (CID 106139412) is 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NCC(C)(C)CCCO)n1.
What is the InChIKey of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is ASCYWJHRLSUVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,5-4-6-17)8-14-11(18)10-9(13)7-16(3)15-10/h7,17H,4-6,8,13H2,1-3H3,(H,14,18).
What are the key properties of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 106139412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).