N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide

C10H17N3O2 — CID 103944808

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC(C)(C)CCO)n1
InChIInChI=1S/C10H17N3O2/c1-10(2,5-7-14)11-9(15)8-4-6-13(3)12-8/h4,6,14H,5,7H2,1-3H3,(H,11,15)
InChIKeyMWSIAYHOWRXDMM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.31
Rot. Bonds4

About N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide

N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 103944808) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID103944808
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC(C)(C)CCO)n1
InChIInChI=1S/C10H17N3O2/c1-10(2,5-7-14)11-9(15)8-4-6-13(3)12-8/h4,6,14H,5,7H2,1-3H3,(H,11,15)
InChIKeyMWSIAYHOWRXDMM-UHFFFAOYSA-N
XLogP0.31
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-3-methylpentan-3-yl)-1-methylpyrazole-3-carboxamide
CID 106168564
5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689751
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 104580688
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103726489
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide
CID 103121644
N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide
CID 103121348
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 103800655

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide (CID 103944808) is N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC(C)(C)CCO)n1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is MWSIAYHOWRXDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,5-7-14)11-9(15)8-4-6-13(3)12-8/h4,6,14H,5,7H2,1-3H3,(H,11,15).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103944808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).