1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide

C22H20ClFN6O — CID 123621975

IUPAC1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCc1ccn2ccnc(N3CCC(NC(=O)c4ccn(-c5ccc(Cl)c(F)c5)n4)C3)c12
InChIInChI=1S/C22H20ClFN6O/c1-14-4-8-28-11-7-25-21(20(14)28)29-9-5-15(13-29)26-22(31)19-6-10-30(27-19)16-2-3-17(23)18(24)12-16/h2-4,6-8,10-12,15H,5,9,13H2,1H3,(H,26,31)
InChIKeyUTOXVZMOCKYNQB-UHFFFAOYSA-N
MW438.89 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide

1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 123621975) has the molecular formula C22H20ClFN6O and a molecular weight of 438.89 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID123621975
Molecular FormulaC22H20ClFN6O
Molecular Weight438.89 g/mol
Exact Mass438.14
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCc1ccn2ccnc(N3CCC(NC(=O)c4ccn(-c5ccc(Cl)c(F)c5)n4)C3)c12
InChIInChI=1S/C22H20ClFN6O/c1-14-4-8-28-11-7-25-21(20(14)28)29-9-5-15(13-29)26-22(31)19-6-10-30(27-19)16-2-3-17(23)18(24)12-16/h2-4,6-8,10-12,15H,5,9,13H2,1H3,(H,26,31)
InChIKeyUTOXVZMOCKYNQB-UHFFFAOYSA-N
XLogP3.63
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768473
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
2-(4-chlorophenyl)-5-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46188600
2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46188603
N-(5-((2-(2,2-Dimethylpyrrolidin-1-yl)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283395
1-(4-chlorophenyl)-N-cyclohexyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768459
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768461
N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768467
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide
CID 67388460
4-N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87381292
N-Cyclopentyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482286
N-cyclohexyl-1-(3,4-dichlorophenyl)-4-ethyl-5-pyrrol-1-ylpyrazole-3-carboxamide
CID 56837838

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (CID 123621975) is 1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is Cc1ccn2ccnc(N3CCC(NC(=O)c4ccn(-c5ccc(Cl)c(F)c5)n4)C3)c12.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is UTOXVZMOCKYNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6O/c1-14-4-8-28-11-7-25-21(20(14)28)29-9-5-15(13-29)26-22(31)19-6-10-30(27-19)16-2-3-17(23)18(24)12-16/h2-4,6-8,10-12,15H,5,9,13H2,1H3,(H,26,31).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 438.89 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 123621975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).