N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide

C25H26ClN5O2 — CID 51998716

IUPACN-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)nn1-c1ccccc1)C1CC1
InChIInChI=1S/C25H26ClN5O2/c26-21-9-5-4-6-19(21)17-29-12-14-30(15-13-29)25(33)22-16-23(27-24(32)18-10-11-18)31(28-22)20-7-2-1-3-8-20/h1-9,16,18H,10-15,17H2,(H,27,32)
InChIKeyXUJKGYFZYBHMBJ-UHFFFAOYSA-N
MW463.97 g/mol
LogP3.83
Rot. Bonds6

About N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide

N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide (PubChem CID 51998716) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
PubChem CID51998716
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC NameN-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)nn1-c1ccccc1)C1CC1
InChIInChI=1S/C25H26ClN5O2/c26-21-9-5-4-6-19(21)17-29-12-14-30(15-13-29)25(33)22-16-23(27-24(32)18-10-11-18)31(28-22)20-7-2-1-3-8-20/h1-9,16,18H,10-15,17H2,(H,27,32)
InChIKeyXUJKGYFZYBHMBJ-UHFFFAOYSA-N
XLogP3.83
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.83
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]propanamide
CID 51998912
N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
CID 51998715
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-methylpyrazol-5-yl]furan-2-carboxamide
CID 51999108
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 19279469
2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide
CID 51998439
5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 51998569
[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 86923546
5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51998612
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
1-[(2-chlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45016892
1-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45009186

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide (CID 51998716) is N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide is O=C(Nc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)nn1-c1ccccc1)C1CC1.
What is the InChIKey of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide?
The InChIKey is XUJKGYFZYBHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c26-21-9-5-4-6-19(21)17-29-12-14-30(15-13-29)25(33)22-16-23(27-24(32)18-10-11-18)31(28-22)20-7-2-1-3-8-20/h1-9,16,18H,10-15,17H2,(H,27,32).
What are the key properties of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide?
N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide has a molecular weight of 463.97 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 51998716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).