N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide

C11H19N3O2 — CID 103820667

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCC(C)(C)CO
InChIInChI=1S/C11H19N3O2/c1-8-9(5-14(4)13-8)10(16)12-6-11(2,3)7-15/h5,15H,6-7H2,1-4H3,(H,12,16)
InChIKeyDXKUJXWJKYWIKF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.48
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide

N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 103820667) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID103820667
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCC(C)(C)CO
InChIInChI=1S/C11H19N3O2/c1-8-9(5-14(4)13-8)10(16)12-6-11(2,3)7-15/h5,15H,6-7H2,1-4H3,(H,12,16)
InChIKeyDXKUJXWJKYWIKF-UHFFFAOYSA-N
XLogP0.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2,2-dimethylpentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 106145643
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
CID 42352825
N-(2-tert-butylsulfanylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 74237119
N-(4-chlorobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 106845570
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
2-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 102801287
(2S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833607
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 103790736
N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 114168450
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 103791188
N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801078
5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 103790923

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide (CID 103820667) is N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCC(C)(C)CO.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is DXKUJXWJKYWIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-9(5-14(4)13-8)10(16)12-6-11(2,3)7-15/h5,15H,6-7H2,1-4H3,(H,12,16).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 103820667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).