phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate

C19H19N5O3 — CID 174766296

IUPACphenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate
SMILESCNC(=O)c1nn(-c2ccccc2)c(NNC(=O)Oc2ccccc2)c1C
InChIInChI=1S/C19H19N5O3/c1-13-16(18(25)20-2)23-24(14-9-5-3-6-10-14)17(13)21-22-19(26)27-15-11-7-4-8-12-15/h3-12,21H,1-2H3,(H,20,25)(H,22,26)
InChIKeyCAKIXOVYWZGKPF-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.66
Rot. Bonds5

About phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate

phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate (PubChem CID 174766296) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate.

Molecular Properties

Compound Namephenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate
PubChem CID174766296
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Namephenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate
SMILESCNC(=O)c1nn(-c2ccccc2)c(NNC(=O)Oc2ccccc2)c1C
InChIInChI=1S/C19H19N5O3/c1-13-16(18(25)20-2)23-24(14-9-5-3-6-10-14)17(13)21-22-19(26)27-15-11-7-4-8-12-15/h3-12,21H,1-2H3,(H,20,25)(H,22,26)
InChIKeyCAKIXOVYWZGKPF-UHFFFAOYSA-N
XLogP2.66
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate
CID 90168580
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 118128540
4-bromo-5-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide
CID 139804749
phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189178
phenyl N-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]carbamate
CID 89189120
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
phenyl 3-methyl-5-[4-methyl-5-(phenoxycarbonylamino)-1-phenylpyrazol-3-yl]imidazol-3-ium-1-carboxylate
CID 90157201
phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate
CID 118148426
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
CID 123778473
phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate
CID 174715217
(2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide
CID 145228722

Frequently Asked Questions

What is the IUPAC name of phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate?
The IUPAC name of phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate (CID 174766296) is phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate.
What is the SMILES notation for phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate?
The canonical SMILES for phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate is CNC(=O)c1nn(-c2ccccc2)c(NNC(=O)Oc2ccccc2)c1C.
What is the InChIKey of phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate?
The InChIKey is CAKIXOVYWZGKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-13-16(18(25)20-2)23-24(14-9-5-3-6-10-14)17(13)21-22-19(26)27-15-11-7-4-8-12-15/h3-12,21H,1-2H3,(H,20,25)(H,22,26).
What are the key properties of phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate?
phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate has a molecular weight of 365.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate is sourced from PubChem (CID 174766296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).