N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide

C14H17N3O2 — CID 111335084

IUPACN-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(C)(O)c2ccccc2)cn1
InChIInChI=1S/C14H17N3O2/c1-14(19,12-6-4-3-5-7-12)10-15-13(18)11-8-16-17(2)9-11/h3-9,19H,10H2,1-2H3,(H,15,18)
InChIKeyNUODTVOHVBVXPZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.06
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide

N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide (PubChem CID 111335084) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
PubChem CID111335084
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(C)(O)c2ccccc2)cn1
InChIInChI=1S/C14H17N3O2/c1-14(19,12-6-4-3-5-7-12)10-15-13(18)11-8-16-17(2)9-11/h3-9,19H,10H2,1-2H3,(H,15,18)
InChIKeyNUODTVOHVBVXPZ-UHFFFAOYSA-N
XLogP1.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458599
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
1-methyl-N-phenacylpyrazole-4-carboxamide
CID 64991757
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dimethylbenzamide
CID 111458743
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide
CID 111478508
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 111458804

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide (CID 111335084) is N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC(C)(O)c2ccccc2)cn1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is NUODTVOHVBVXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(19,12-6-4-3-5-7-12)10-15-13(18)11-8-16-17(2)9-11/h3-9,19H,10H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide?
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 111335084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).