2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine

C7H12FN3 — CID 131222875

IUPAC2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCN(CCF)Cc1cn[nH]c1
InChIInChI=1S/C7H12FN3/c1-11(3-2-8)6-7-4-9-10-5-7/h4-5H,2-3,6H2,1H3,(H,9,10)
InChIKeyDHKOZYOZCUOXFK-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.81
Rot. Bonds4

About 2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine

2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine (PubChem CID 131222875) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine
PubChem CID131222875
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCN(CCF)Cc1cn[nH]c1
InChIInChI=1S/C7H12FN3/c1-11(3-2-8)6-7-4-9-10-5-7/h4-5H,2-3,6H2,1H3,(H,9,10)
InChIKeyDHKOZYOZCUOXFK-UHFFFAOYSA-N
XLogP0.81
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylpyrazole
CID 3406
4-Methylpyrazole hydrochloride
CID 11957593
1H-pyrazol-4-ylmethanamine
CID 23005583
4-(Trifluoromethyl)-1H-pyrazole
CID 12777795
(1H-pyrazol-4-yl)methanamine dihydrochloride
CID 43810558
methyl(1H-pyrazol-4-ylmethyl)amine dihydrochloride
CID 54593142
4-(difluoromethyl)-1H-pyrazole
CID 67635188
dimethyl[(1H-pyrazol-4-yl)methyl]amine dihydrochloride
CID 165943184
methyl((1H-pyrazol-4-yl)methyl)amine hydrochloride
CID 167716177
4-(azidomethyl)-1H-pyrazole
CID 121212022
dimethyl[(1H-pyrazol-4-yl)methyl]amine
CID 22929641
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine (CID 131222875) is 2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine is CN(CCF)Cc1cn[nH]c1.
What is the InChIKey of 2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The InChIKey is DHKOZYOZCUOXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-11(3-2-8)6-7-4-9-10-5-7/h4-5H,2-3,6H2,1H3,(H,9,10).
What are the key properties of 2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine?
2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine has a molecular weight of 157.19 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 131222875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).