N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C13H23N3O3 — CID 70778169

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)(CO)CO)n(C)n1
InChIInChI=1S/C13H23N3O3/c1-9(2)5-10-6-11(16(4)15-10)12(19)14-13(3,7-17)8-18/h6,9,17-18H,5,7-8H2,1-4H3,(H,14,19)
InChIKeyGLJHUJFGWBBGNC-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.09
Rot. Bonds6

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70778169) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70778169
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)(CO)CO)n(C)n1
InChIInChI=1S/C13H23N3O3/c1-9(2)5-10-6-11(16(4)15-10)12(19)14-13(3,7-17)8-18/h6,9,17-18H,5,7-8H2,1-4H3,(H,14,19)
InChIKeyGLJHUJFGWBBGNC-UHFFFAOYSA-N
XLogP0.09
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70778169) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)NC(C)(CO)CO)n(C)n1.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is GLJHUJFGWBBGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(2)5-10-6-11(16(4)15-10)12(19)14-13(3,7-17)8-18/h6,9,17-18H,5,7-8H2,1-4H3,(H,14,19).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70778169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).