N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide

C18H26FN7O — CID 59144916

IUPACN-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C18H26FN7O/c1-2-17(27)23-16-13-22-26(14-16)6-4-3-5-24-7-9-25(10-8-24)18-20-11-15(19)12-21-18/h11-14H,2-10H2,1H3,(H,23,27)
InChIKeyWDBDUHYYOHJVGH-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.76
Rot. Bonds8

About N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide

N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide (PubChem CID 59144916) has the molecular formula C18H26FN7O and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide
PubChem CID59144916
Molecular FormulaC18H26FN7O
Molecular Weight375.45 g/mol
Exact Mass375.22
IUPAC NameN-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C18H26FN7O/c1-2-17(27)23-16-13-22-26(14-16)6-4-3-5-24-7-9-25(10-8-24)18-20-11-15(19)12-21-18/h11-14H,2-10H2,1H3,(H,23,27)
InChIKeyWDBDUHYYOHJVGH-UHFFFAOYSA-N
XLogP1.76
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.76
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

1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazole-4-carbonitrile
CID 59144928
5-fluoro-2-[4-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]butyl]piperazin-1-yl]pyrimidine
CID 59144805
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexanoic acid
CID 56994409
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide
CID 15788033
N-[1-(methoxymethyl)pyrazol-4-yl]propanamide
CID 19411093
N-butyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 19438727
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19336125
(1S)-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
CID 10020651
N-[1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]benzamide
CID 54386733
1-(5-chloropyrimidin-2-yl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 71980297

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide?
The IUPAC name of N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide (CID 59144916) is N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide?
The canonical SMILES for N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide is CCC(=O)Nc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1.
What is the InChIKey of N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide?
The InChIKey is WDBDUHYYOHJVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN7O/c1-2-17(27)23-16-13-22-26(14-16)6-4-3-5-24-7-9-25(10-8-24)18-20-11-15(19)12-21-18/h11-14H,2-10H2,1H3,(H,23,27).
What are the key properties of N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide?
N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide has a molecular weight of 375.45 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 59144916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).