2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide

C12H17F3N4O2 — CID 79792807

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESCC(N)(C(=O)Nc1cnn(CC2CCCO2)c1)C(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c1-11(16,12(13,14)15)10(20)18-8-5-17-19(6-8)7-9-3-2-4-21-9/h5-6,9H,2-4,7,16H2,1H3,(H,18,20)
InChIKeyQQUKDEZVBCBHFP-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide (PubChem CID 79792807) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
PubChem CID79792807
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESCC(N)(C(=O)Nc1cnn(CC2CCCO2)c1)C(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c1-11(16,12(13,14)15)10(20)18-8-5-17-19(6-8)7-9-3-2-4-21-9/h5-6,9H,2-4,7,16H2,1H3,(H,18,20)
InChIKeyQQUKDEZVBCBHFP-UHFFFAOYSA-N
XLogP1.28
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide (CID 79792807) is 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide is CC(N)(C(=O)Nc1cnn(CC2CCCO2)c1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
The InChIKey is QQUKDEZVBCBHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-11(16,12(13,14)15)10(20)18-8-5-17-19(6-8)7-9-3-2-4-21-9/h5-6,9H,2-4,7,16H2,1H3,(H,18,20).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide has a molecular weight of 306.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 79792807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).