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

C19H18ClN5O — CID 42684964

IUPAC1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea
SMILESNc1c(NC(=O)NC2CC2)c(-c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN5O/c20-13-6-10-15(11-7-13)25-18(21)17(23-19(26)22-14-8-9-14)16(24-25)12-4-2-1-3-5-12/h1-7,10-11,14H,8-9,21H2,(H2,22,23,26)
InChIKeyCKLFVBQKDUHPNZ-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.06
Rot. Bonds4

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

1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea (PubChem CID 42684964) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea
PubChem CID42684964
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea
SMILESNc1c(NC(=O)NC2CC2)c(-c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN5O/c20-13-6-10-15(11-7-13)25-18(21)17(23-19(26)22-14-8-9-14)16(24-25)12-4-2-1-3-5-12/h1-7,10-11,14H,8-9,21H2,(H2,22,23,26)
InChIKeyCKLFVBQKDUHPNZ-UHFFFAOYSA-N
XLogP4.06
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea
CID 42685065
1-[5-amino-1,3-bis(4-chlorophenyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea
CID 42685093
phenyl N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]carbamate
CID 42684862
N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide
CID 42685121
1-[5-amino-1,3-bis(4-chlorophenyl)pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea
CID 42873178
3-[5-amino-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-benzyl-1-methylurea
CID 42685189
1-[5-amino-3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(cyclopropylmethyl)urea
CID 42685255
N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide
CID 42685055
5-amino-N-[4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]phenyl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 139225071
2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
CID 69293752
phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate
CID 42684864
5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
CID 6498258

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea?
The IUPAC name of 1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea (CID 42684964) is 1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea is Nc1c(NC(=O)NC2CC2)c(-c2ccccc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea?
The InChIKey is CKLFVBQKDUHPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-13-6-10-15(11-7-13)25-18(21)17(23-19(26)22-14-8-9-14)16(24-25)12-4-2-1-3-5-12/h1-7,10-11,14H,8-9,21H2,(H2,22,23,26).
What are the key properties of 1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea?
1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea has a molecular weight of 367.84 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea is sourced from PubChem (CID 42684964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).