3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

C25H30FN5O — CID 56603222

IUPAC3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCN1CCN(CCNC(=O)CCc2cc(-c3cccc(F)c3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H30FN5O/c1-29-14-16-30(17-15-29)13-12-27-25(32)11-10-22-19-24(20-6-5-7-21(26)18-20)31(28-22)23-8-3-2-4-9-23/h2-9,18-19H,10-17H2,1H3,(H,27,32)
InChIKeyZCKNKLFNZJBKAP-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.97
Rot. Bonds8

About 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide (PubChem CID 56603222) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
PubChem CID56603222
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC Name3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCN1CCN(CCNC(=O)CCc2cc(-c3cccc(F)c3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H30FN5O/c1-29-14-16-30(17-15-29)13-12-27-25(32)11-10-22-19-24(20-6-5-7-21(26)18-20)31(28-22)23-8-3-2-4-9-23/h2-9,18-19H,10-17H2,1H3,(H,27,32)
InChIKeyZCKNKLFNZJBKAP-UHFFFAOYSA-N
XLogP2.97
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
Ilk-IN-1
CID 51051074
N-(4-{3-[2-(methylcarbamoyl)ethyl]-5-[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]-1H-pyrazol-1-yl}phenyl)prop-2-ynamide
CID 139593556
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
Ab-chfupyca
CID 122213879
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645919
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645920
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645923
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-3-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645924
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645926
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(1,1,2,2,2-pentafluoroethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645927

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide (CID 56603222) is 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide is CN1CCN(CCNC(=O)CCc2cc(-c3cccc(F)c3)n(-c3ccccc3)n2)CC1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is ZCKNKLFNZJBKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-29-14-16-30(17-15-29)13-12-27-25(32)11-10-22-19-24(20-6-5-7-21(26)18-20)31(28-22)23-8-3-2-4-9-23/h2-9,18-19H,10-17H2,1H3,(H,27,32).
What are the key properties of 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 435.55 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-1-phenylpyrazol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 56603222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).