N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine

C9H15F2N3 — CID 165467071

IUPACN-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine
SMILESCCNCC(F)(F)Cn1nccc1C
InChIInChI=1S/C9H15F2N3/c1-3-12-6-9(10,11)7-14-8(2)4-5-13-14/h4-5,12H,3,6-7H2,1-2H3
InChIKeyLHHWOVFSZOXDPI-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.44
Rot. Bonds5

About N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine

N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine (PubChem CID 165467071) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine
PubChem CID165467071
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine
SMILESCCNCC(F)(F)Cn1nccc1C
InChIInChI=1S/C9H15F2N3/c1-3-12-6-9(10,11)7-14-8(2)4-5-13-14/h4-5,12H,3,6-7H2,1-2H3
InChIKeyLHHWOVFSZOXDPI-UHFFFAOYSA-N
XLogP1.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(5-methylpyrazol-1-yl)-N-propylpropan-1-amine
CID 79621301
1-(2,2-dimethylpropyl)-5-methylpyrazole
CID 11858722
2-(ethylamino)-2-methyl-5-(5-methylpyrazol-1-yl)pentan-1-ol
CID 64809273
3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine
CID 103366605
N-ethyl-2-[(5-methylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251899
3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 165466536
3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propanenitrile
CID 103368158
ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine
CID 156847760
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
N-ethyl-6-(5-methylpyrazol-1-yl)hexan-3-amine
CID 106800447
1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol
CID 64818779
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529672

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine (CID 165467071) is N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine is CCNCC(F)(F)Cn1nccc1C.
What is the InChIKey of N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine?
The InChIKey is LHHWOVFSZOXDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-3-12-6-9(10,11)7-14-8(2)4-5-13-14/h4-5,12H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine?
N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine has a molecular weight of 203.24 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 165467071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).