N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide

C10H17N3O4 — CID 107846675

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CO)(CO)CO)n(C)n1
InChIInChI=1S/C10H17N3O4/c1-7-3-8(13(2)12-7)9(17)11-10(4-14,5-15)6-16/h3,14-16H,4-6H2,1-2H3,(H,11,17)
InChIKeyGRLAXEZSFQZTRC-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.83
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 107846675) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID107846675
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CO)(CO)CO)n(C)n1
InChIInChI=1S/C10H17N3O4/c1-7-3-8(13(2)12-7)9(17)11-10(4-14,5-15)6-16/h3,14-16H,4-6H2,1-2H3,(H,11,17)
InChIKeyGRLAXEZSFQZTRC-UHFFFAOYSA-N
XLogP-1.83
TPSA107.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 66126916
2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide
CID 82723366
N-(2-methoxyethoxy)-2,5-dimethylpyrazole-3-carboxamide
CID 79676798
2,5-dimethyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
CID 13405277
(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823484
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid
CID 66129033
2,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 68886245
N-[2-(bromomethyl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106367309
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106366475
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66126250
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 107846675) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(CO)(CO)CO)n(C)n1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is GRLAXEZSFQZTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-7-3-8(13(2)12-7)9(17)11-10(4-14,5-15)6-16/h3,14-16H,4-6H2,1-2H3,(H,11,17).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 243.26 g/mol, XLogP of -1.83, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 107846675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).