N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide

C24H29N5O — CID 46602126

IUPACN-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29N5O/c30-24(12-11-21-19-26-29(20-21)23-9-5-2-6-10-23)25-13-14-27-15-17-28(18-16-27)22-7-3-1-4-8-22/h1-10,19-20H,11-18H2,(H,25,30)
InChIKeyNJAXNDRAYHRZPH-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.74
Rot. Bonds8

About N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 46602126) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID46602126
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29N5O/c30-24(12-11-21-19-26-29(20-21)23-9-5-2-6-10-23)25-13-14-27-15-17-28(18-16-27)22-7-3-1-4-8-22/h1-10,19-20H,11-18H2,(H,25,30)
InChIKeyNJAXNDRAYHRZPH-UHFFFAOYSA-N
XLogP2.74
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 29261722
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 17420754
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 43066995
N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
CID 55567246
N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 55436838
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 167759352
3-(oxazinan-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
CID 46984820

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 46602126) is N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is NJAXNDRAYHRZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c30-24(12-11-21-19-26-29(20-21)23-9-5-2-6-10-23)25-13-14-27-15-17-28(18-16-27)22-7-3-1-4-8-22/h1-10,19-20H,11-18H2,(H,25,30).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 403.53 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 46602126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).