(4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate

C23H25ClN4O3 — CID 171823997

IUPAC(4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
SMILESCC(C)Cn1nccc1C(=O)NCc1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN4O3/c1-16(2)14-28-21(11-12-26-28)22(29)25-13-17-5-9-20(10-6-17)27-23(30)31-15-18-3-7-19(24)8-4-18/h3-12,16H,13-15H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyPNSLVDOLMUARNE-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.87
Rot. Bonds8

About (4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate

(4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate (PubChem CID 171823997) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
PubChem CID171823997
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name(4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
SMILESCC(C)Cn1nccc1C(=O)NCc1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN4O3/c1-16(2)14-28-21(11-12-26-28)22(29)25-13-17-5-9-20(10-6-17)27-23(30)31-15-18-3-7-19(24)8-4-18/h3-12,16H,13-15H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyPNSLVDOLMUARNE-UHFFFAOYSA-N
XLogP4.87
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chlorobenzyl (S)-(4-(1-(4-fluoro-1,3-dimethyl-1H-pyrazole-5-carboxamido)eth-yl)phenyl)carbamate
CID 171824042
4-chlorobenzyl (4-((3-(difluoromethyl)-1-methyl-1H-pyrazole-5-carboxamido)meth-yl)phenyl)carbamate
CID 171824343
4-chlorobenzyl (4-((4-fluoro-N,1,3-trimethyl-1H-pyrazole-5-carboxamido)meth-yl)phenyl)carbamate
CID 171824606
4-chlorobenzyl (S)-(4-(1-(3-(difluoromethyl)-1-methyl-1H-pyrazole-5-carboxamido)eth-yl)phenyl)carbamate
CID 171824711
4-chlorobenzyl (4-((4-fluoro-1,3-dimethyl-1H-pyrazole-5-carboxamido)meth-yl)phenyl)carbamate
CID 172115229
methyl 4-((1-(3-chlorophenyl)-4-cyclopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)methyl)benzoate
CID 30607528
Methyl 2-(2-(8-(4-chlorophenyl)-(oxo)pyrazolo[1,5-d][1,2,4]triazin-1-yl)acetamido)benzoate
CID 42100106
benzyl 3-[(2,4-dichlorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134789981
benzyl N-[(1R)-2-[3-(aminomethyl)anilino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]carbamate
CID 177664798
benzyl N-[3-chloro-5-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]carbamate
CID 177665261
benzyl N-[3-[2-[4-(aminomethyl)triazol-1-yl]ethylcarbamoyl]-5-chlorophenyl]carbamate
CID 177665352
Ethyl 3-(4-chlorophenyl)-1-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]pyrazole-5-carboxylate
CID 142314497

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate (CID 171823997) is (4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate is CC(C)Cn1nccc1C(=O)NCc1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate?
The InChIKey is PNSLVDOLMUARNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-16(2)14-28-21(11-12-26-28)22(29)25-13-17-5-9-20(10-6-17)27-23(30)31-15-18-3-7-19(24)8-4-18/h3-12,16H,13-15H2,1-2H3,(H,25,29)(H,27,30).
What are the key properties of (4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate?
(4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate has a molecular weight of 440.93 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[4-[[[2-(2-methylpropyl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 171823997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).