[1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine

C11H10ClF3N4 — CID 146194144

IUPAC[1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine
SMILESNCc1cnn(Cc2ccc(C(F)(F)F)nc2Cl)c1
InChIInChI=1S/C11H10ClF3N4/c12-10-8(1-2-9(18-10)11(13,14)15)6-19-5-7(3-16)4-17-19/h1-2,4-5H,3,6,16H2
InChIKeyWCRDNLIIHXBDAH-UHFFFAOYSA-N
MW290.68 g/mol
LogP2.46
Rot. Bonds3

About [1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine

[1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine (PubChem CID 146194144) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is [1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine
PubChem CID146194144
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name[1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine
SMILESNCc1cnn(Cc2ccc(C(F)(F)F)nc2Cl)c1
InChIInChI=1S/C11H10ClF3N4/c12-10-8(1-2-9(18-10)11(13,14)15)6-19-5-7(3-16)4-17-19/h1-2,4-5H,3,6,16H2
InChIKeyWCRDNLIIHXBDAH-UHFFFAOYSA-N
XLogP2.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine
CID 146195107
[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine
CID 62727284
[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194722
[1-[[3-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146195478
[2-(4-chloropyrazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869668
[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194795
4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-3-chlorobenzonitrile
CID 102669740
tert-butyl N-[[1-[[2-acetyl-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]carbamate
CID 146203555
[1-[[2-prop-1-en-2-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylcarbamic acid
CID 146194133
2-[[4-(aminomethyl)pyrazol-1-yl]methyl]-5-fluorobenzonitrile;hydrochloride
CID 146194960
[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methanamine
CID 82929588
2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine
CID 106994202

Frequently Asked Questions

What is the IUPAC name of [1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine (CID 146194144) is [1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine is NCc1cnn(Cc2ccc(C(F)(F)F)nc2Cl)c1.
What is the InChIKey of [1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine?
The InChIKey is WCRDNLIIHXBDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c12-10-8(1-2-9(18-10)11(13,14)15)6-19-5-7(3-16)4-17-19/h1-2,4-5H,3,6,16H2.
What are the key properties of [1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine?
[1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine has a molecular weight of 290.68 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 146194144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).