N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C18H17F3N4O2 — CID 42874609

IUPACN-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C18H17F3N4O2/c1-2-8-22-16(26)15-12-10-25(9-7-14(12)23-24-15)17(27)11-5-3-4-6-13(11)18(19,20)21/h2-6H,1,7-10H2,(H,22,26)(H,23,24)
InChIKeyKXTRQQUNFWFFJK-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.54
Rot. Bonds4

About N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 42874609) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID42874609
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC NameN-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C18H17F3N4O2/c1-2-8-22-16(26)15-12-10-25(9-7-14(12)23-24-15)17(27)11-5-3-4-6-13(11)18(19,20)21/h2-6H,1,7-10H2,(H,22,26)(H,23,24)
InChIKeyKXTRQQUNFWFFJK-UHFFFAOYSA-N
XLogP2.54
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 42874609) is N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is C=CCNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1C(F)(F)F)CC2.
What is the InChIKey of N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is KXTRQQUNFWFFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-2-8-22-16(26)15-12-10-25(9-7-14(12)23-24-15)17(27)11-5-3-4-6-13(11)18(19,20)21/h2-6H,1,7-10H2,(H,22,26)(H,23,24).
What are the key properties of N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-5-[2-(trifluoromethyl)benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 42874609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).