1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine

C25H27Cl2N5 — CID 118470414

IUPAC1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine
SMILESClc1ccc(-c2cc(N/C(=N/C3CC3)NC3CCCCC3)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C25H27Cl2N5/c26-18-12-10-17(11-13-18)23-16-24(31-32(23)22-9-5-4-8-21(22)27)30-25(29-20-14-15-20)28-19-6-2-1-3-7-19/h4-5,8-13,16,19-20H,1-3,6-7,14-15H2,(H2,28,29,30,31)
InChIKeyJVKWUQVWOZZLOE-UHFFFAOYSA-N
MW468.43 g/mol
LogP6.70
Rot. Bonds5

About 1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine

1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine (PubChem CID 118470414) has the molecular formula C25H27Cl2N5 and a molecular weight of 468.43 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine
PubChem CID118470414
Molecular FormulaC25H27Cl2N5
Molecular Weight468.43 g/mol
Exact Mass467.16
IUPAC Name1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine
SMILESClc1ccc(-c2cc(N/C(=N/C3CC3)NC3CCCCC3)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C25H27Cl2N5/c26-18-12-10-17(11-13-18)23-16-24(31-32(23)22-9-5-4-8-21(22)27)30-25(29-20-14-15-20)28-19-6-2-1-3-7-19/h4-5,8-13,16,19-20H,1-3,6-7,14-15H2,(H2,28,29,30,31)
InChIKeyJVKWUQVWOZZLOE-UHFFFAOYSA-N
XLogP6.70
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.43
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-adamantyl)-1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclopropylguanidine
CID 118470409
1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine
CID 102321701
1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-cyano-N'-cyclohexyl-4-methylpyrazole-3-carboximidamide
CID 118470309
1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 9082115
5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide
CID 118470760
1,2-dicyclohexyl-3-(3,5-dichloro-4-methoxyphenyl)guanidine
CID 139721180
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(thian-4-yl)pyrazole-3-carboxamide
CID 66862919
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazole-3-carboximidamide
CID 118470623
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 11993502
1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121747
1-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089042

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine?
The IUPAC name of 1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine (CID 118470414) is 1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine?
The canonical SMILES for 1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine is Clc1ccc(-c2cc(N/C(=N/C3CC3)NC3CCCCC3)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine?
The InChIKey is JVKWUQVWOZZLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N5/c26-18-12-10-17(11-13-18)23-16-24(31-32(23)22-9-5-4-8-21(22)27)30-25(29-20-14-15-20)28-19-6-2-1-3-7-19/h4-5,8-13,16,19-20H,1-3,6-7,14-15H2,(H2,28,29,30,31).
What are the key properties of 1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine?
1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine has a molecular weight of 468.43 g/mol, XLogP of 6.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine is sourced from PubChem (CID 118470414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).