N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide

C20H20Cl2N4O — CID 45482286

IUPACN-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1
InChIInChI=1S/C20H20Cl2N4O/c1-13-18(19(27)23-14-6-2-3-7-14)24-26(20(13)25-10-4-5-11-25)15-8-9-16(21)17(22)12-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,23,27)
InChIKeyLJMFHUWSINYYKM-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.95
Rot. Bonds4

About N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide

N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide (PubChem CID 45482286) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
PubChem CID45482286
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC NameN-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1
InChIInChI=1S/C20H20Cl2N4O/c1-13-18(19(27)23-14-6-2-3-7-14)24-26(20(13)25-10-4-5-11-25)15-8-9-16(21)17(22)12-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,23,27)
InChIKeyLJMFHUWSINYYKM-UHFFFAOYSA-N
XLogP4.95
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide (CID 45482286) is N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1.
What is the InChIKey of N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The InChIKey is LJMFHUWSINYYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c1-13-18(19(27)23-14-6-2-3-7-14)24-26(20(13)25-10-4-5-11-25)15-8-9-16(21)17(22)12-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,23,27).
What are the key properties of N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide has a molecular weight of 403.31 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 45482286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).