2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline

C11H12FN3 — CID 19619185

IUPAC2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
SMILESCn1ccc(CNc2ccccc2F)n1
InChIInChI=1S/C11H12FN3/c1-15-7-6-9(14-15)8-13-11-5-3-2-4-10(11)12/h2-7,13H,8H2,1H3
InChIKeyKCMBVCZKLRKXAC-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.17
Rot. Bonds3

About 2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline

2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline (PubChem CID 19619185) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
PubChem CID19619185
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
SMILESCn1ccc(CNc2ccccc2F)n1
InChIInChI=1S/C11H12FN3/c1-15-7-6-9(14-15)8-13-11-5-3-2-4-10(11)12/h2-7,13H,8H2,1H3
InChIKeyKCMBVCZKLRKXAC-UHFFFAOYSA-N
XLogP2.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]-2-nitroaniline
CID 82873151
4-chloro-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82866817
2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82866486
3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 82872539
N-[(1-methylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79478733
N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide
CID 106104820
3,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]-2-nitroaniline
CID 82873420
1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166559
2-fluoro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 104626482
2-fluoro-6-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 112607196
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867128
4-iodo-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 115909524

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline (CID 19619185) is 2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline is Cn1ccc(CNc2ccccc2F)n1.
What is the InChIKey of 2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is KCMBVCZKLRKXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15-7-6-9(14-15)8-13-11-5-3-2-4-10(11)12/h2-7,13H,8H2,1H3.
What are the key properties of 2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline?
2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline has a molecular weight of 205.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 19619185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).