1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide

C20H21N3O2 — CID 19271107

IUPAC1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccn(COc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-2-18(16-9-5-3-6-10-16)21-20(24)19-13-14-23(22-19)15-25-17-11-7-4-8-12-17/h3-14,18H,2,15H2,1H3,(H,21,24)
InChIKeyDATKVZJTAZNLIP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.80
Rot. Bonds7

About 1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide

1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide (PubChem CID 19271107) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
PubChem CID19271107
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccn(COc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-2-18(16-9-5-3-6-10-16)21-20(24)19-13-14-23(22-19)15-25-17-11-7-4-8-12-17/h3-14,18H,2,15H2,1H3,(H,21,24)
InChIKeyDATKVZJTAZNLIP-UHFFFAOYSA-N
XLogP3.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560
1-[(4-tert-butylphenoxy)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19273693
1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19271197
N-[1-(4-butan-2-ylphenyl)propyl]-1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275324
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19270512
1-[(2,5-dimethylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19272828
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19268710
N-[1-(4-butan-2-ylphenyl)propyl]-1-[(3-chloro-4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19268711
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 75358425
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504138
2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500181
1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
CID 29089973

Frequently Asked Questions

What is the IUPAC name of 1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide (CID 19271107) is 1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide is CCC(NC(=O)c1ccn(COc2ccccc2)n1)c1ccccc1.
What is the InChIKey of 1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide?
The InChIKey is DATKVZJTAZNLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-18(16-9-5-3-6-10-16)21-20(24)19-13-14-23(22-19)15-25-17-11-7-4-8-12-17/h3-14,18H,2,15H2,1H3,(H,21,24).
What are the key properties of 1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide?
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19271107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).