N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine

C10H16F3N3 — CID 103029932

IUPACN-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCCNC(CCc1cnn(C)c1)C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-3-14-9(10(11,12)13)5-4-8-6-15-16(2)7-8/h6-7,9,14H,3-5H2,1-2H3
InChIKeyLREXCVHOHKEYOT-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.89
Rot. Bonds5

About N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine

N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 103029932) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine
PubChem CID103029932
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC NameN-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCCNC(CCc1cnn(C)c1)C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-3-14-9(10(11,12)13)5-4-8-6-15-16(2)7-8/h6-7,9,14H,3-5H2,1-2H3
InChIKeyLREXCVHOHKEYOT-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25248267
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CID 50987960
methyl(1-(1-methyl-1H-pyrazol-4-yl)ethyl)amine
CID 23005793
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
1-methyl-4-(pyrrolidin-3-yl)-1H-pyrazole
CID 54593929
3-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 62405677
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CID 91647634

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine (CID 103029932) is N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine is CCNC(CCc1cnn(C)c1)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is LREXCVHOHKEYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-3-14-9(10(11,12)13)5-4-8-6-15-16(2)7-8/h6-7,9,14H,3-5H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine?
N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 235.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 103029932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).