benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate

C20H18ClN3O2 — CID 42685914

IUPACbenzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate
SMILESO=C(Nc1c(-c2ccc(Cl)cc2)n[nH]c1C1CC1)OCc1ccccc1
InChIInChI=1S/C20H18ClN3O2/c21-16-10-8-15(9-11-16)18-19(17(23-24-18)14-6-7-14)22-20(25)26-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,22,25)(H,23,24)
InChIKeyMSFSSGVYNADGQZ-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.36
Rot. Bonds5

About benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate

benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate (PubChem CID 42685914) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate
PubChem CID42685914
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Namebenzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate
SMILESO=C(Nc1c(-c2ccc(Cl)cc2)n[nH]c1C1CC1)OCc1ccccc1
InChIInChI=1S/C20H18ClN3O2/c21-16-10-8-15(9-11-16)18-19(17(23-24-18)14-6-7-14)22-20(25)26-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,22,25)(H,23,24)
InChIKeyMSFSSGVYNADGQZ-UHFFFAOYSA-N
XLogP5.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]carbamate
CID 42685853
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide
CID 42687630
2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide
CID 42687695
benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate
CID 42874454
methyl 5-bromo-2-(4-chlorophenyl)-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylate
CID 58191687
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
CID 42874460
1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea
CID 42685065
benzyl N-(6-chloro-2-cyclononylpyrimidin-4-yl)carbamate
CID 139393302
(2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005058
2-[2-(4-chlorophenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid
CID 10093188
(4-chlorophenyl)methyl 5-phenyl-2H-triazole-4-carboxylate
CID 100663799
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate?
The IUPAC name of benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate (CID 42685914) is benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate?
The canonical SMILES for benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate is O=C(Nc1c(-c2ccc(Cl)cc2)n[nH]c1C1CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate?
The InChIKey is MSFSSGVYNADGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-10-8-15(9-11-16)18-19(17(23-24-18)14-6-7-14)22-20(25)26-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,22,25)(H,23,24).
What are the key properties of benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate?
benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate has a molecular weight of 367.84 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate is sourced from PubChem (CID 42685914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).