N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C9H13F4N3 — CID 103529672

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCn1nccc1CNCC(F)(F)C(F)F
InChIInChI=1S/C9H13F4N3/c1-2-16-7(3-4-15-16)5-14-6-9(12,13)8(10)11/h3-4,8,14H,2,5-6H2,1H3
InChIKeyYIXJSVREUVJMKP-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.89
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529672) has the molecular formula C9H13F4N3 and a molecular weight of 239.22 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529672
Molecular FormulaC9H13F4N3
Molecular Weight239.22 g/mol
Exact Mass239.10
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCn1nccc1CNCC(F)(F)C(F)F
InChIInChI=1S/C9H13F4N3/c1-2-16-7(3-4-15-16)5-14-6-9(12,13)8(10)11/h3-4,8,14H,2,5-6H2,1H3
InChIKeyYIXJSVREUVJMKP-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 115761351
N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113334932
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 75525238
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 19619290
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 122169168
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115761675
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
1-(2-ethylpyrazol-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589102

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 103529672) is N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is CCn1nccc1CNCC(F)(F)C(F)F.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is YIXJSVREUVJMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N3/c1-2-16-7(3-4-15-16)5-14-6-9(12,13)8(10)11/h3-4,8,14H,2,5-6H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 239.22 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).