N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline

C12H14FN3 — CID 19619281

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
SMILESCCn1nccc1CNc1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-2-16-12(6-7-15-16)9-14-11-5-3-4-10(13)8-11/h3-8,14H,2,9H2,1H3
InChIKeyCUYVRCUJVCOSGA-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.65
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline

N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline (PubChem CID 19619281) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
PubChem CID19619281
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
SMILESCCn1nccc1CNc1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-2-16-12(6-7-15-16)9-14-11-5-3-4-10(13)8-11/h3-8,14H,2,9H2,1H3
InChIKeyCUYVRCUJVCOSGA-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylpyrazol-3-yl)methylamino]phenol
CID 114554894
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
CID 115777063
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838297
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 115879496
N-[(2-ethylpyrazol-3-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 114555991
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline
CID 115762717
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 19619290
3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555165
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline (CID 19619281) is N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline is CCn1nccc1CNc1cccc(F)c1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline?
The InChIKey is CUYVRCUJVCOSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-2-16-12(6-7-15-16)9-14-11-5-3-4-10(13)8-11/h3-8,14H,2,9H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline?
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline has a molecular weight of 219.26 g/mol, XLogP of 2.65, 4 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]-3-fluoroaniline is sourced from PubChem (CID 19619281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).