[(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate

C19H20N4O2 — CID 90298894

IUPAC[(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate
SMILESC[C@@H](OC(=O)Nc1c(-c2ccc(N)cc2)cnn1C)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-13(14-6-4-3-5-7-14)25-19(24)22-18-17(12-21-23(18)2)15-8-10-16(20)11-9-15/h3-13H,20H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeySWPMPMUAXMWBCY-CYBMUJFWSA-N
MW336.40 g/mol
LogP3.98
Rot. Bonds4

About [(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate

[(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate (PubChem CID 90298894) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate
PubChem CID90298894
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate
SMILESC[C@@H](OC(=O)Nc1c(-c2ccc(N)cc2)cnn1C)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-13(14-6-4-3-5-7-14)25-19(24)22-18-17(12-21-23(18)2)15-8-10-16(20)11-9-15/h3-13H,20H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeySWPMPMUAXMWBCY-CYBMUJFWSA-N
XLogP3.98
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenyl]acetic acid
CID 70819507
[4-[1-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-4-yl]phenyl] trifluoromethanesulfonate
CID 88996352
(2R)-2-[3-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]prop-2-ynoylamino]propanoic acid
CID 90298856
3-[4-[4-[1-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-4-yl]phenyl]phenyl]oxetane-3-carboxylic acid
CID 70819452
ethyl 2-chloro-5-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]benzoate
CID 70856237
1-phenylethyl N-(4-bromo-1-methylpyrazol-5-yl)carbamate
CID 70819175
1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate
CID 141384399
4-fluoro-2-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenoxy]benzoic acid
CID 90298465
4-fluoro-2-[4-[4-[1-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-4-yl]phenyl]phenoxy]benzoic acid
CID 123185550
methyl 1-[4-[2,5-difluoro-4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 71264564
4-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 70819347
methyl 1-[4-[6-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylate
CID 70819364

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of [(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate (CID 90298894) is [(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for [(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for [(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate is C[C@@H](OC(=O)Nc1c(-c2ccc(N)cc2)cnn1C)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate?
The InChIKey is SWPMPMUAXMWBCY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(14-6-4-3-5-7-14)25-19(24)22-18-17(12-21-23(18)2)15-8-10-16(20)11-9-15/h3-13H,20H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate?
[(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate has a molecular weight of 336.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 90298894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).