N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide

C20H20F2N4O — CID 45482293

IUPACN-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1
InChIInChI=1S/C20H20F2N4O/c1-13-18(19(27)23-15-6-2-3-7-15)24-26(20(13)25-10-4-5-11-25)17-9-8-14(21)12-16(17)22/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,23,27)
InChIKeyWJXDNXGFJBBWTC-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.92
Rot. Bonds4

About N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide

N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide (PubChem CID 45482293) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
PubChem CID45482293
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC NameN-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1
InChIInChI=1S/C20H20F2N4O/c1-13-18(19(27)23-15-6-2-3-7-15)24-26(20(13)25-10-4-5-11-25)17-9-8-14(21)12-16(17)22/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,23,27)
InChIKeyWJXDNXGFJBBWTC-UHFFFAOYSA-N
XLogP3.92
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide (CID 45482293) is N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1.
What is the InChIKey of N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The InChIKey is WJXDNXGFJBBWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-13-18(19(27)23-15-6-2-3-7-15)24-26(20(13)25-10-4-5-11-25)17-9-8-14(21)12-16(17)22/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,23,27).
What are the key properties of N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 45482293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).