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

C24H26ClN5O2 — CID 51998912

IUPACN-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)nn1-c1ccccc1
InChIInChI=1S/C24H26ClN5O2/c1-2-23(31)26-22-16-21(27-30(22)19-9-4-3-5-10-19)24(32)29-14-12-28(13-15-29)17-18-8-6-7-11-20(18)25/h3-11,16H,2,12-15,17H2,1H3,(H,26,31)
InChIKeyKRXZDQUVOBLJRP-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.83
Rot. Bonds6

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

N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide (PubChem CID 51998912) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
PubChem CID51998912
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC NameN-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)nn1-c1ccccc1
InChIInChI=1S/C24H26ClN5O2/c1-2-23(31)26-22-16-21(27-30(22)19-9-4-3-5-10-19)24(32)29-14-12-28(13-15-29)17-18-8-6-7-11-20(18)25/h3-11,16H,2,12-15,17H2,1H3,(H,26,31)
InChIKeyKRXZDQUVOBLJRP-UHFFFAOYSA-N
XLogP3.83
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
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]cyclopropanecarboxamide
CID 51998716
N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998908
N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
CID 51998715
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
N-naphthalen-1-yl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998761
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 19294945
[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 86923546
5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478097
4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
CID 112842395

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide?
The IUPAC name of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide (CID 51998912) is N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide.
What is the SMILES notation for N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide?
The canonical SMILES for N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide is CCC(=O)Nc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)nn1-c1ccccc1.
What is the InChIKey of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide?
The InChIKey is KRXZDQUVOBLJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-2-23(31)26-22-16-21(27-30(22)19-9-4-3-5-10-19)24(32)29-14-12-28(13-15-29)17-18-8-6-7-11-20(18)25/h3-11,16H,2,12-15,17H2,1H3,(H,26,31).
What are the key properties of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide?
N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide has a molecular weight of 451.96 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]propanamide is sourced from PubChem (CID 51998912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).