[5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine

C11H11ClFN3 — CID 107878770

IUPAC[5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(Cn2cc(Cl)cn2)ccc1F
InChIInChI=1S/C11H11ClFN3/c12-10-5-15-16(7-10)6-8-1-2-11(13)9(3-8)4-14/h1-3,5,7H,4,6,14H2
InChIKeyTXKIEOWOTXYCPP-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.18
Rot. Bonds3

About [5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine

[5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine (PubChem CID 107878770) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is [5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine
PubChem CID107878770
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name[5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(Cn2cc(Cl)cn2)ccc1F
InChIInChI=1S/C11H11ClFN3/c12-10-5-15-16(7-10)6-8-1-2-11(13)9(3-8)4-14/h1-3,5,7H,4,6,14H2
InChIKeyTXKIEOWOTXYCPP-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methanamine
CID 82929588
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
CID 75357825
2-[(4-chloropyrazol-1-yl)methyl]-4-fluoroaniline
CID 61036280
2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
CID 105352212
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107
3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 54970106
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole
CID 78997583
3-[(4-chloropyrazol-1-yl)methyl]benzenecarbothioamide
CID 61035925
2-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]oxyethanamine
CID 162788173
[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194722

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine (CID 107878770) is [5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine is NCc1cc(Cn2cc(Cl)cn2)ccc1F.
What is the InChIKey of [5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine?
The InChIKey is TXKIEOWOTXYCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c12-10-5-15-16(7-10)6-8-1-2-11(13)9(3-8)4-14/h1-3,5,7H,4,6,14H2.
What are the key properties of [5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine?
[5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine has a molecular weight of 239.68 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloropyrazol-1-yl)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107878770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).