1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide

C19H27N5O — CID 86989887

IUPAC1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)cnn1C
InChIInChI=1S/C19H27N5O/c1-15(13-20-19(25)18-14-21-22(3)16(18)2)23-9-11-24(12-10-23)17-7-5-4-6-8-17/h4-8,14-15H,9-13H2,1-3H3,(H,20,25)
InChIKeyGTPOKKDIUCTWCP-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.67
Rot. Bonds5

About 1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide (PubChem CID 86989887) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
PubChem CID86989887
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)cnn1C
InChIInChI=1S/C19H27N5O/c1-15(13-20-19(25)18-14-21-22(3)16(18)2)23-9-11-24(12-10-23)17-7-5-4-6-8-17/h4-8,14-15H,9-13H2,1-3H3,(H,20,25)
InChIKeyGTPOKKDIUCTWCP-UHFFFAOYSA-N
XLogP1.67
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694971
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
1,5-dimethyl-N-(1-phenylpiperidin-4-yl)pyrazole-4-carboxamide
CID 86828696
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
1-oxido-N-[2-(4-phenylpiperazin-1-yl)propyl]pyridin-1-ium-2-carboxamide
CID 60511961
2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694970
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
4-bromo-N-[2-(4-phenylpiperazin-1-yl)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564755
2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 51658661
3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 167961771
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 55695000
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide (CID 86989887) is 1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is GTPOKKDIUCTWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15(13-20-19(25)18-14-21-22(3)16(18)2)23-9-11-24(12-10-23)17-7-5-4-6-8-17/h4-8,14-15H,9-13H2,1-3H3,(H,20,25).
What are the key properties of 1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86989887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).