4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide

C16H20FN5O — CID 110086674

IUPAC4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
SMILESCn1nccc1CNC(=O)C1CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C16H20FN5O/c1-21-14(6-7-20-21)10-19-16(23)15-11-22(9-8-18-15)13-4-2-12(17)3-5-13/h2-7,15,18H,8-11H2,1H3,(H,19,23)
InChIKeyBOTAVHQFBZCWBD-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.65
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide

4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide (PubChem CID 110086674) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
PubChem CID110086674
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
SMILESCn1nccc1CNC(=O)C1CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C16H20FN5O/c1-21-14(6-7-20-21)10-19-16(23)15-11-22(9-8-18-15)13-4-2-12(17)3-5-13/h2-7,15,18H,8-11H2,1H3,(H,19,23)
InChIKeyBOTAVHQFBZCWBD-UHFFFAOYSA-N
XLogP0.65
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide (CID 110086674) is 4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide is Cn1nccc1CNC(=O)C1CN(c2ccc(F)cc2)CCN1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
The InChIKey is BOTAVHQFBZCWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-21-14(6-7-20-21)10-19-16(23)15-11-22(9-8-18-15)13-4-2-12(17)3-5-13/h2-7,15,18H,8-11H2,1H3,(H,19,23).
What are the key properties of 4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 110086674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).