5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide

C10H15F3N4O — CID 112737854

IUPAC5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide
SMILESCn1ccc(NC(=O)CC(CCN)C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-17-5-3-8(16-17)15-9(18)6-7(2-4-14)10(11,12)13/h3,5,7H,2,4,6,14H2,1H3,(H,15,16,18)
InChIKeyKVRZNTFVKJNXNO-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.28
Rot. Bonds5

About 5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide

5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide (PubChem CID 112737854) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide
PubChem CID112737854
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide
SMILESCn1ccc(NC(=O)CC(CCN)C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-17-5-3-8(16-17)15-9(18)6-7(2-4-14)10(11,12)13/h3,5,7H,2,4,6,14H2,1H3,(H,15,16,18)
InChIKeyKVRZNTFVKJNXNO-UHFFFAOYSA-N
XLogP1.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide?
The IUPAC name of 5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide (CID 112737854) is 5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide.
What is the SMILES notation for 5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide?
The canonical SMILES for 5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide is Cn1ccc(NC(=O)CC(CCN)C(F)(F)F)n1.
What is the InChIKey of 5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide?
The InChIKey is KVRZNTFVKJNXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-17-5-3-8(16-17)15-9(18)6-7(2-4-14)10(11,12)13/h3,5,7H,2,4,6,14H2,1H3,(H,15,16,18).
What are the key properties of 5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide?
5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide has a molecular weight of 264.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanamide is sourced from PubChem (CID 112737854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).