2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline

C14H15ClF3N3 — CID 114554917

IUPAC2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline
SMILESCCCn1nccc1CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C14H15ClF3N3/c1-2-8-21-10(6-7-20-21)9-19-13-11(14(16,17)18)4-3-5-12(13)15/h3-7,19H,2,8-9H2,1H3
InChIKeyMAVVRHPJLISANM-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.58
Rot. Bonds5

About 2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline

2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline (PubChem CID 114554917) has the molecular formula C14H15ClF3N3 and a molecular weight of 317.74 g/mol. Its IUPAC name is 2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline
PubChem CID114554917
Molecular FormulaC14H15ClF3N3
Molecular Weight317.74 g/mol
Exact Mass317.09
IUPAC Name2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline
SMILESCCCn1nccc1CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C14H15ClF3N3/c1-2-8-21-10(6-7-20-21)9-19-13-11(14(16,17)18)4-3-5-12(13)15/h3-7,19H,2,8-9H2,1H3
InChIKeyMAVVRHPJLISANM-UHFFFAOYSA-N
XLogP4.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-chlorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44543088
7-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
CID 57390125
US10155727, Example 62
CID 118864420
US10155727, Example 61
CID 118864265
N-[(2-chloro-4-fluorophenyl)methyl]-2-pyrazol-1-ylethanamine
CID 53536238
1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]pyrazole
CID 13689863
7-chloro-1-((4,5-dihydro-1H-imidazol-2-yl)methyl)-1H-indazole
CID 56950526
(4-chlorophenyl)(1-methyl-1H-pyrazol-3-yl)methanamine
CID 65200505
((1-benzyl-1H-pyrazol-5-yl)methyl)(methyl)amine dihydrochloride
CID 146155100
1-Benzyl-3-trifluoromethyl-5-chloropyrazole
CID 66022794
[(1-Methylpyrazol-3-yl)methyl][2-(trifluoromethyl)phenyl]amine
CID 19619178
1-(1-allyl-3-methyl-1H-pyrazol-4-yl)-N-(2-chloro-4-fluorobenzyl)methanamine
CID 46987011

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline (CID 114554917) is 2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline is CCCn1nccc1CNc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline?
The InChIKey is MAVVRHPJLISANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3/c1-2-8-21-10(6-7-20-21)9-19-13-11(14(16,17)18)4-3-5-12(13)15/h3-7,19H,2,8-9H2,1H3.
What are the key properties of 2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline?
2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline has a molecular weight of 317.74 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline is sourced from PubChem (CID 114554917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).