1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine

C10H18FN3 — CID 122168984

IUPAC1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine
SMILESCC(C)CCNc1cnn(CCF)c1
InChIInChI=1S/C10H18FN3/c1-9(2)3-5-12-10-7-13-14(8-10)6-4-11/h7-9,12H,3-6H2,1-2H3
InChIKeyMRUMOWLUEPSDRS-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.31
Rot. Bonds6

About 1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine

1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine (PubChem CID 122168984) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine
PubChem CID122168984
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine
SMILESCC(C)CCNc1cnn(CCF)c1
InChIInChI=1S/C10H18FN3/c1-9(2)3-5-12-10-7-13-14(8-10)6-4-11/h7-9,12H,3-6H2,1-2H3
InChIKeyMRUMOWLUEPSDRS-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1H-pyrazol-4-amine
CID 4770990
1-(tert-butyl)-1H-pyrazol-4-amine
CID 13469817
1-Methyl-1H-pyrazol-4-ylamine hydrochloride
CID 17354268
1-Ethyl-1h-pyrazol-4-amine
CID 7018640
1-[2-(diethylamino)ethyl]-1H-pyrazol-4-amine
CID 42281880
1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 7015918
1-(Propan-2-yl)-1H-pyrazol-4-amine
CID 13469826
1-(2-methylpropyl)-1H-pyrazol-4-amine
CID 17856047
1-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 19576663
1-propyl-1H-pyrazol-4-amine
CID 19620834
1-(Butan-2-yl)-1H-pyrazol-4-amine
CID 43209204
N-ethyl-1-methyl-1H-pyrazol-4-amine
CID 43534862

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine?
The IUPAC name of 1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine (CID 122168984) is 1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine is CC(C)CCNc1cnn(CCF)c1.
What is the InChIKey of 1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine?
The InChIKey is MRUMOWLUEPSDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-9(2)3-5-12-10-7-13-14(8-10)6-4-11/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine?
1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine has a molecular weight of 199.27 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-(3-methylbutyl)pyrazol-4-amine is sourced from PubChem (CID 122168984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).