N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

C11H19F2N3 — CID 66441934

IUPACN-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCn1ncc(CNC(C)(C)C)c1C(F)F
InChIInChI=1S/C11H19F2N3/c1-5-16-9(10(12)13)8(7-15-16)6-14-11(2,3)4/h7,10,14H,5-6H2,1-4H3
InChIKeyPJWGBLGSOKNKBN-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.73
Rot. Bonds4

About N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66441934) has the molecular formula C11H19F2N3 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66441934
Molecular FormulaC11H19F2N3
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCn1ncc(CNC(C)(C)C)c1C(F)F
InChIInChI=1S/C11H19F2N3/c1-5-16-9(10(12)13)8(7-15-16)6-14-11(2,3)4/h7,10,14H,5-6H2,1-4H3
InChIKeyPJWGBLGSOKNKBN-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine
CID 66442333
N-[[1-benzyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440086
N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442122
2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66442365
N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66441353
1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440093
2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66441955
2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66441609
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440323
N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66439923
N-[[1-[(2-chlorophenyl)methyl]-5-(difluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 66442604
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 66440933

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66441934) is N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is CCn1ncc(CNC(C)(C)C)c1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PJWGBLGSOKNKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3/c1-5-16-9(10(12)13)8(7-15-16)6-14-11(2,3)4/h7,10,14H,5-6H2,1-4H3.
What are the key properties of N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 231.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66441934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).