phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate

C17H16N4O2 — CID 174715217

IUPACphenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate
SMILESCn1nc(-c2ccccc2)cc1NNC(=O)Oc1ccccc1
InChIInChI=1S/C17H16N4O2/c1-21-16(12-15(20-21)13-8-4-2-5-9-13)18-19-17(22)23-14-10-6-3-7-11-14/h2-12,18H,1H3,(H,19,22)
InChIKeyFOJFSKZMPQPTQD-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.20
Rot. Bonds4

About phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate

phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate (PubChem CID 174715217) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate.

Molecular Properties

Compound Namephenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate
PubChem CID174715217
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Namephenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate
SMILESCn1nc(-c2ccccc2)cc1NNC(=O)Oc1ccccc1
InChIInChI=1S/C17H16N4O2/c1-21-16(12-15(20-21)13-8-4-2-5-9-13)18-19-17(22)23-14-10-6-3-7-11-14/h2-12,18H,1H3,(H,19,22)
InChIKeyFOJFSKZMPQPTQD-UHFFFAOYSA-N
XLogP3.20
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N,3-diphenylpyrazol-5-amine
CID 10610632
1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine
CID 10727427
methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate
CID 134799813
4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3681501
2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 5163862
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate
CID 123305303
N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide
CID 155909949
N-(1-methyl-3-phenylpyrazol-5-yl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 156608111
N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide
CID 86792973
N-(1-methyl-3-phenylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
CID 46982645
ethyl 2-cyano-3-[(1-methyl-3-phenylpyrazol-5-yl)amino]prop-2-enoate
CID 165344492

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate?
The IUPAC name of phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate (CID 174715217) is phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate.
What is the SMILES notation for phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate?
The canonical SMILES for phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate is Cn1nc(-c2ccccc2)cc1NNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate?
The InChIKey is FOJFSKZMPQPTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21-16(12-15(20-21)13-8-4-2-5-9-13)18-19-17(22)23-14-10-6-3-7-11-14/h2-12,18H,1H3,(H,19,22).
What are the key properties of phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate?
phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate has a molecular weight of 308.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate is sourced from PubChem (CID 174715217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).