(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine

C12H14FN3 — CID 94575350

IUPAC(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C12H14FN3/c1-9(14)11-6-15-16(8-11)7-10-4-2-3-5-12(10)13/h2-6,8-9H,7,14H2,1H3/t9-/m1/s1
InChIKeyUZRXIUIZJYWIFS-SECBINFHSA-N
MW219.26 g/mol
LogP2.09
Rot. Bonds3

About (1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine

(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine (PubChem CID 94575350) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
PubChem CID94575350
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C12H14FN3/c1-9(14)11-6-15-16(8-11)7-10-4-2-3-5-12(10)13/h2-6,8-9H,7,14H2,1H3/t9-/m1/s1
InChIKeyUZRXIUIZJYWIFS-SECBINFHSA-N
XLogP2.09
TPSA43.84 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62730873
N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62729973
1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 114420088
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 79001284
4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole
CID 122240597
4-ethynyl-1-[(2-fluorophenyl)methyl]pyrazole
CID 122240593
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 17378592
1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole
CID 91610958
1-[(2-fluorophenyl)methyl]-4-nitropyrazole
CID 573054
1-[(2-chloro-3-fluorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 112654315
1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265923
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55110447

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine (CID 94575350) is (1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine is C[C@@H](N)c1cnn(Cc2ccccc2F)c1.
What is the InChIKey of (1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine?
The InChIKey is UZRXIUIZJYWIFS-SECBINFHSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9(14)11-6-15-16(8-11)7-10-4-2-3-5-12(10)13/h2-6,8-9H,7,14H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine?
(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 94575350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).