N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide

C10H17N3O3 — CID 66171165

IUPACN-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(O)CO)cnn1C
InChIInChI=1S/C10H17N3O3/c1-7-8(4-12-13(7)3)9(15)11-5-10(2,16)6-14/h4,14,16H,5-6H2,1-3H3,(H,11,15)
InChIKeyUSAKUDBIGSYEFQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.80
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 66171165) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID66171165
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(O)CO)cnn1C
InChIInChI=1S/C10H17N3O3/c1-7-8(4-12-13(7)3)9(15)11-5-10(2,16)6-14/h4,14,16H,5-6H2,1-3H3,(H,11,15)
InChIKeyUSAKUDBIGSYEFQ-UHFFFAOYSA-N
XLogP-0.80
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide (CID 66171165) is N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCC(C)(O)CO)cnn1C.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is USAKUDBIGSYEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7-8(4-12-13(7)3)9(15)11-5-10(2,16)6-14/h4,14,16H,5-6H2,1-3H3,(H,11,15).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 66171165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).