N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline

C12H14FN3 — CID 19619060

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
SMILESCc1c(CNc2ccc(F)cc2)cnn1C
InChIInChI=1S/C12H14FN3/c1-9-10(8-15-16(9)2)7-14-12-5-3-11(13)4-6-12/h3-6,8,14H,7H2,1-2H3
InChIKeyWMNZITJAQGLQDR-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.48
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline (PubChem CID 19619060) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
PubChem CID19619060
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
SMILESCc1c(CNc2ccc(F)cc2)cnn1C
InChIInChI=1S/C12H14FN3/c1-9-10(8-15-16(9)2)7-14-12-5-3-11(13)4-6-12/h3-6,8,14H,7H2,1-2H3
InChIKeyWMNZITJAQGLQDR-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
4-(difluoromethylsulfanyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79579399
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 79568946
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 133405580
2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol
CID 109482346
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-fluorobenzoic acid
CID 79578811
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 79578632
2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83076309
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 79570540
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 79578576

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline (CID 19619060) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline is Cc1c(CNc2ccc(F)cc2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline?
The InChIKey is WMNZITJAQGLQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9-10(8-15-16(9)2)7-14-12-5-3-11(13)4-6-12/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline has a molecular weight of 219.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 19619060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).