3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C11H10ClF3N4 — CID 82872733

IUPAC3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCn1ccc(CNc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H10ClF3N4/c1-19-3-2-8(18-19)6-17-10-9(12)4-7(5-16-10)11(13,14)15/h2-5H,6H2,1H3,(H,16,17)
InChIKeyJWMVUNNFWMXAOV-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.10
Rot. Bonds3

About 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 82872733) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID82872733
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCn1ccc(CNc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H10ClF3N4/c1-19-3-2-8(18-19)6-17-10-9(12)4-7(5-16-10)11(13,14)15/h2-5H,6H2,1H3,(H,16,17)
InChIKeyJWMVUNNFWMXAOV-UHFFFAOYSA-N
XLogP3.10
TPSA42.74 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78989659
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 114144034
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715
3-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103703845
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82737497
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562824
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113238278
2-[(1-methylpyrazol-3-yl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 82873879
N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 78983980

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 82872733) is 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is Cn1ccc(CNc2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JWMVUNNFWMXAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c1-19-3-2-8(18-19)6-17-10-9(12)4-7(5-16-10)11(13,14)15/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 290.68 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 82872733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).