N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide

C15H16F3N5O — CID 35290408

IUPACN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cnccn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)13-8-12(10-2-3-10)23(22-13)7-1-4-21-14(24)11-9-19-5-6-20-11/h5-6,8-10H,1-4,7H2,(H,21,24)
InChIKeyXWVKUTYZHSYUPS-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.39
Rot. Bonds6

About N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide

N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide (PubChem CID 35290408) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide
PubChem CID35290408
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cnccn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)13-8-12(10-2-3-10)23(22-13)7-1-4-21-14(24)11-9-19-5-6-20-11/h5-6,8-10H,1-4,7H2,(H,21,24)
InChIKeyXWVKUTYZHSYUPS-UHFFFAOYSA-N
XLogP2.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide (CID 35290408) is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide is O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cnccn1.
What is the InChIKey of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide?
The InChIKey is XWVKUTYZHSYUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)13-8-12(10-2-3-10)23(22-13)7-1-4-21-14(24)11-9-19-5-6-20-11/h5-6,8-10H,1-4,7H2,(H,21,24).
What are the key properties of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide?
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 35290408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).