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

C12H13ClFN3 — CID 64766128

IUPAC[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine
SMILESCc1c(Cl)cnn1Cc1cc(F)ccc1CN
InChIInChI=1S/C12H13ClFN3/c1-8-12(13)6-16-17(8)7-10-4-11(14)3-2-9(10)5-15/h2-4,6H,5,7,15H2,1H3
InChIKeyPYTSPGXRIUVZRA-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.49
Rot. Bonds3

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

[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine (PubChem CID 64766128) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is [2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine
PubChem CID64766128
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine
SMILESCc1c(Cl)cnn1Cc1cc(F)ccc1CN
InChIInChI=1S/C12H13ClFN3/c1-8-12(13)6-16-17(8)7-10-4-11(14)3-2-9(10)5-15/h2-4,6H,5,7,15H2,1H3
InChIKeyPYTSPGXRIUVZRA-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine
CID 64766127
[5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 63289261
[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278587
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
CID 53443819
2-[(4-chloro-5-methylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79250797
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]pyridin-4-one
CID 64763549
[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278852
2-[[2-(aminomethyl)-4-fluorophenyl]methyl]-6-methylpyridazin-3-one
CID 63289759
2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-6-nitroaniline
CID 107351940
2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide
CID 115465628
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine?
The IUPAC name of [2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine (CID 64766128) is [2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine is Cc1c(Cl)cnn1Cc1cc(F)ccc1CN.
What is the InChIKey of [2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine?
The InChIKey is PYTSPGXRIUVZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-8-12(13)6-16-17(8)7-10-4-11(14)3-2-9(10)5-15/h2-4,6H,5,7,15H2,1H3.
What are the key properties of [2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine?
[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine has a molecular weight of 253.71 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 64766128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).