N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide

C25H26FN5O2 — CID 51998715

IUPACN-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)nn1-c1ccccc1)C1CC1
InChIInChI=1S/C25H26FN5O2/c26-20-10-6-18(7-11-20)17-29-12-14-30(15-13-29)25(33)22-16-23(27-24(32)19-8-9-19)31(28-22)21-4-2-1-3-5-21/h1-7,10-11,16,19H,8-9,12-15,17H2,(H,27,32)
InChIKeyOZPCVWOUWDXHCD-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.32
Rot. Bonds6

About N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide

N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide (PubChem CID 51998715) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
PubChem CID51998715
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)nn1-c1ccccc1)C1CC1
InChIInChI=1S/C25H26FN5O2/c26-20-10-6-18(7-11-20)17-29-12-14-30(15-13-29)25(33)22-16-23(27-24(32)19-8-9-19)31(28-22)21-4-2-1-3-5-21/h1-7,10-11,16,19H,8-9,12-15,17H2,(H,27,32)
InChIKeyOZPCVWOUWDXHCD-UHFFFAOYSA-N
XLogP3.32
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
CID 51998716
N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998908
N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998912
4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
CID 112842395
(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47844771
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 51998569
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-(phenoxymethyl)pyrazol-3-yl]methanone
CID 19472780
5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 51998736
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55838933
5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51998612

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide (CID 51998715) is N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide is O=C(Nc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)nn1-c1ccccc1)C1CC1.
What is the InChIKey of N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide?
The InChIKey is OZPCVWOUWDXHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c26-20-10-6-18(7-11-20)17-29-12-14-30(15-13-29)25(33)22-16-23(27-24(32)19-8-9-19)31(28-22)21-4-2-1-3-5-21/h1-7,10-11,16,19H,8-9,12-15,17H2,(H,27,32).
What are the key properties of N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide?
N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 51998715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).