1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide

C16H23N7O — CID 15788033

IUPAC1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CCCCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C16H23N7O/c17-15(24)14-12-20-23(13-14)7-2-1-6-21-8-10-22(11-9-21)16-18-4-3-5-19-16/h3-5,12-13H,1-2,6-11H2,(H2,17,24)
InChIKeyBOHGSEVDLNTOQO-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.37
Rot. Bonds7

About 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide

1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide (PubChem CID 15788033) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide
PubChem CID15788033
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CCCCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C16H23N7O/c17-15(24)14-12-20-23(13-14)7-2-1-6-21-8-10-22(11-9-21)16-18-4-3-5-19-16/h3-5,12-13H,1-2,6-11H2,(H2,17,24)
InChIKeyBOHGSEVDLNTOQO-UHFFFAOYSA-N
XLogP0.37
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[4-(4-bromophenyl)pyrazol-1-yl]butyl]piperazin-1-yl]pyrimidine
CID 59144971
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
N-butyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 19438727
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;trihydrochloride
CID 119901328
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 119901319
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 70710374
1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide
CID 64782555
2-[4-[4-(4-bromo-3-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
CID 14726857
1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide
CID 63577284
2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 142706032
5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
CID 59144822

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide (CID 15788033) is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide is NC(=O)c1cnn(CCCCN2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide?
The InChIKey is BOHGSEVDLNTOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c17-15(24)14-12-20-23(13-14)7-2-1-6-21-8-10-22(11-9-21)16-18-4-3-5-19-16/h3-5,12-13H,1-2,6-11H2,(H2,17,24).
What are the key properties of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide?
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide is sourced from PubChem (CID 15788033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).