2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H27N5O — CID 17395059

IUPAC2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-14-18(15(2)22(4)21-14)20-19(25)16(3)23-10-12-24(13-11-23)17-8-6-5-7-9-17/h5-9,16H,10-13H2,1-4H3,(H,20,25)
InChIKeyIXFULWSYHQGLAL-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.19
Rot. Bonds4

About 2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 17395059) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID17395059
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-14-18(15(2)22(4)21-14)20-19(25)16(3)23-10-12-24(13-11-23)17-8-6-5-7-9-17/h5-9,16H,10-13H2,1-4H3,(H,20,25)
InChIKeyIXFULWSYHQGLAL-UHFFFAOYSA-N
XLogP2.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78700917
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 26551937
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134049519
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120759067
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 87022044
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 25340743
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 17395059) is 2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C(C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is IXFULWSYHQGLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-18(15(2)22(4)21-14)20-19(25)16(3)23-10-12-24(13-11-23)17-8-6-5-7-9-17/h5-9,16H,10-13H2,1-4H3,(H,20,25).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 17395059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).