N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide

C16H22F3N5O — CID 70252191

IUPACN-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide
SMILESCn1ccc(NC(=O)CCCN2NC(C(F)(F)F)C3=C2CCCC3)n1
InChIInChI=1S/C16H22F3N5O/c1-23-10-8-13(21-23)20-14(25)7-4-9-24-12-6-3-2-5-11(12)15(22-24)16(17,18)19/h8,10,15,22H,2-7,9H2,1H3,(H,20,21,25)
InChIKeyNMOQJGCCPRGZMM-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.72
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide

N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide (PubChem CID 70252191) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide
PubChem CID70252191
Molecular FormulaC16H22F3N5O
Molecular Weight357.38 g/mol
Exact Mass357.18
IUPAC NameN-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide
SMILESCn1ccc(NC(=O)CCCN2NC(C(F)(F)F)C3=C2CCCC3)n1
InChIInChI=1S/C16H22F3N5O/c1-23-10-8-13(21-23)20-14(25)7-4-9-24-12-6-3-2-5-11(12)15(22-24)16(17,18)19/h8,10,15,22H,2-7,9H2,1H3,(H,20,21,25)
InChIKeyNMOQJGCCPRGZMM-UHFFFAOYSA-N
XLogP2.72
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide (CID 70252191) is N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide is Cn1ccc(NC(=O)CCCN2NC(C(F)(F)F)C3=C2CCCC3)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide?
The InChIKey is NMOQJGCCPRGZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O/c1-23-10-8-13(21-23)20-14(25)7-4-9-24-12-6-3-2-5-11(12)15(22-24)16(17,18)19/h8,10,15,22H,2-7,9H2,1H3,(H,20,21,25).
What are the key properties of N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide?
N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide has a molecular weight of 357.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide is sourced from PubChem (CID 70252191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).