1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide

C23H26FN5O — CID 55841366

IUPAC1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide
SMILESCN1CCN(Cc2ccc(CNC(=O)c3ccn(-c4ccccc4F)n3)cc2)CC1
InChIInChI=1S/C23H26FN5O/c1-27-12-14-28(15-13-27)17-19-8-6-18(7-9-19)16-25-23(30)21-10-11-29(26-21)22-5-3-2-4-20(22)24/h2-11H,12-17H2,1H3,(H,25,30)
InChIKeyCOORWZVRVJWJHO-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.69
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 55841366) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide
PubChem CID55841366
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide
SMILESCN1CCN(Cc2ccc(CNC(=O)c3ccn(-c4ccccc4F)n3)cc2)CC1
InChIInChI=1S/C23H26FN5O/c1-27-12-14-28(15-13-27)17-19-8-6-18(7-9-19)16-25-23(30)21-10-11-29(26-21)22-5-3-2-4-20(22)24/h2-11H,12-17H2,1H3,(H,25,30)
InChIKeyCOORWZVRVJWJHO-UHFFFAOYSA-N
XLogP2.69
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 55728121
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55868469
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 51232553
1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
CID 111447765
1-[(2-fluorophenyl)methyl]-2-methyl-3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111265584
N-[3-[(dimethylamino)methyl]phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 86980854
6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679
2-(2-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 56552186
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide (CID 55841366) is 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide is CN1CCN(Cc2ccc(CNC(=O)c3ccn(-c4ccccc4F)n3)cc2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is COORWZVRVJWJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-27-12-14-28(15-13-27)17-19-8-6-18(7-9-19)16-25-23(30)21-10-11-29(26-21)22-5-3-2-4-20(22)24/h2-11H,12-17H2,1H3,(H,25,30).
What are the key properties of 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55841366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).