N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C15H19N3O2 — CID 111107196

IUPACN-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-10-14(11(2)18-17-10)15(20)16-9-13(19)8-12-6-4-3-5-7-12/h3-7,13,19H,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyJUKKMVVBCRRQKN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.36
Rot. Bonds5

About N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 111107196) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID111107196
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-10-14(11(2)18-17-10)15(20)16-9-13(19)8-12-6-4-3-5-7-12/h3-7,13,19H,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyJUKKMVVBCRRQKN-UHFFFAOYSA-N
XLogP1.36
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
N-(2-hydroxy-3-phenylpropyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 71849451
N-[(2R)-2-hydroxy-3-phenylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97067509
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111102422
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61249897
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid
CID 103153138
N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 104593791
N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115664893

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 111107196) is N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is JUKKMVVBCRRQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-14(11(2)18-17-10)15(20)16-9-13(19)8-12-6-4-3-5-7-12/h3-7,13,19H,8-9H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 111107196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).