1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide

C18H17N3O2 — CID 19270816

IUPAC1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
SMILESCOCn1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C18H17N3O2/c1-23-13-21-12-11-17(20-21)18(22)19-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,19,22)
InChIKeyTZXNRYQLHMEAMN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.41
Rot. Bonds5

About 1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide

1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide (PubChem CID 19270816) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
PubChem CID19270816
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
SMILESCOCn1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C18H17N3O2/c1-23-13-21-12-11-17(20-21)18(22)19-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,19,22)
InChIKeyTZXNRYQLHMEAMN-UHFFFAOYSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-dichlorophenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19269906
1-[(4-tert-butylphenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19273730
1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide
CID 19270743
N-(3-hydroxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273626
1-[(4-bromopyrazol-1-yl)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19271730
N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270943
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277353
2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504136
1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
CID 131908281
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide (CID 19270816) is 1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide is COCn1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The InChIKey is TZXNRYQLHMEAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-13-21-12-11-17(20-21)18(22)19-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,19,22).
What are the key properties of 1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide?
1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19270816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).