1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea

C20H20ClN5O — CID 42685065

IUPAC1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea
SMILESNc1c(NC(=O)NC2CC2)c(-c2ccc(Cl)cc2)nn1Cc1ccccc1
InChIInChI=1S/C20H20ClN5O/c21-15-8-6-14(7-9-15)17-18(24-20(27)23-16-10-11-16)19(22)26(25-17)12-13-4-2-1-3-5-13/h1-9,16H,10-12,22H2,(H2,23,24,27)
InChIKeyZLYVDLHZLMIUFA-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.12
Rot. Bonds5

About 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea

1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea (PubChem CID 42685065) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea
PubChem CID42685065
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea
SMILESNc1c(NC(=O)NC2CC2)c(-c2ccc(Cl)cc2)nn1Cc1ccccc1
InChIInChI=1S/C20H20ClN5O/c21-15-8-6-14(7-9-15)17-18(24-20(27)23-16-10-11-16)19(22)26(25-17)12-13-4-2-1-3-5-13/h1-9,16H,10-12,22H2,(H2,23,24,27)
InChIKeyZLYVDLHZLMIUFA-UHFFFAOYSA-N
XLogP4.12
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea?
The IUPAC name of 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea (CID 42685065) is 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea is Nc1c(NC(=O)NC2CC2)c(-c2ccc(Cl)cc2)nn1Cc1ccccc1.
What is the InChIKey of 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea?
The InChIKey is ZLYVDLHZLMIUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-15-8-6-14(7-9-15)17-18(24-20(27)23-16-10-11-16)19(22)26(25-17)12-13-4-2-1-3-5-13/h1-9,16H,10-12,22H2,(H2,23,24,27).
What are the key properties of 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea?
1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea has a molecular weight of 381.87 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea is sourced from PubChem (CID 42685065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).