N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide

C10H17N3O2 — CID 103846922

IUPACN-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)C(C)CO
InChIInChI=1S/C10H17N3O2/c1-7(6-14)13(4)10(15)9-5-12(3)11-8(9)2/h5,7,14H,6H2,1-4H3
InChIKeyRQMOPESDBUAONO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.18
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide

N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide (PubChem CID 103846922) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide
PubChem CID103846922
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)C(C)CO
InChIInChI=1S/C10H17N3O2/c1-7(6-14)13(4)10(15)9-5-12(3)11-8(9)2/h5,7,14H,6H2,1-4H3
InChIKeyRQMOPESDBUAONO-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 103747215
2-[butan-2-yl-(1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid
CID 113286030
N-(cyanomethyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 103662448
3-[(1,3-dimethylpyrazole-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 103790605
N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119583661
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 103791188
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
2-chloro-1,3-bis(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 19588271
N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 102802456
2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
1-tert-butyl-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 109388394
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide (CID 103846922) is N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N(C)C(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide?
The InChIKey is RQMOPESDBUAONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(6-14)13(4)10(15)9-5-12(3)11-8(9)2/h5,7,14H,6H2,1-4H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide?
N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 103846922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).