N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide

C24H28Cl2N4O — CID 45482242

IUPACN-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C
InChIInChI=1S/C24H28Cl2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31)
InChIKeyRRUMZUULISYKFT-UHFFFAOYSA-N
MW459.42 g/mol
LogP6.35
Rot. Bonds4

About N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide

N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide (PubChem CID 45482242) has the molecular formula C24H28Cl2N4O and a molecular weight of 459.42 g/mol. Its IUPAC name is N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
PubChem CID45482242
Molecular FormulaC24H28Cl2N4O
Molecular Weight459.42 g/mol
Exact Mass458.16
IUPAC NameN-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C
InChIInChI=1S/C24H28Cl2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31)
InChIKeyRRUMZUULISYKFT-UHFFFAOYSA-N
XLogP6.35
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide (CID 45482242) is N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C.
What is the InChIKey of N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The InChIKey is RRUMZUULISYKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31).
What are the key properties of N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide has a molecular weight of 459.42 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 45482242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).