N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide

C9H15N3O2 — CID 43419111

IUPACN-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)CO)cnn1C
InChIInChI=1S/C9H15N3O2/c1-6(5-13)11-9(14)8-4-10-12(3)7(8)2/h4,6,13H,5H2,1-3H3,(H,11,14)
InChIKeyCLKIFZHBVJPLMW-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.16
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide

N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 43419111) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID43419111
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)CO)cnn1C
InChIInChI=1S/C9H15N3O2/c1-6(5-13)11-9(14)8-4-10-12(3)7(8)2/h4,6,13H,5H2,1-3H3,(H,11,14)
InChIKeyCLKIFZHBVJPLMW-UHFFFAOYSA-N
XLogP-0.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 62092793
1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide
CID 64991676
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide
CID 78856717
N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43501123
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28779169
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 114177902
ethyl (2R)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-sulfanylpropanoate
CID 19473969
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
(E)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]hex-4-enoic acid
CID 120693151

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide (CID 43419111) is N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NC(C)CO)cnn1C.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is CLKIFZHBVJPLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(5-13)11-9(14)8-4-10-12(3)7(8)2/h4,6,13H,5H2,1-3H3,(H,11,14).
What are the key properties of N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide?
N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 43419111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).