(3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine

C11H12Cl2N4 — CID 79780955

IUPAC(3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)c2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C11H12Cl2N4/c1-2-17-6-7(4-16-17)10(14)11-9(13)3-8(12)5-15-11/h3-6,10H,2,14H2,1H3
InChIKeyVJGIAZKHUCQOEI-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.65
Rot. Bonds3

About (3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine

(3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine (PubChem CID 79780955) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine
PubChem CID79780955
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name(3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)c2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C11H12Cl2N4/c1-2-17-6-7(4-16-17)10(14)11-9(13)3-8(12)5-15-11/h3-6,10H,2,14H2,1H3
InChIKeyVJGIAZKHUCQOEI-UHFFFAOYSA-N
XLogP2.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 107560529
(3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol
CID 79780527
(1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106754993
(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
CID 115807774
(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine
CID 79780714
(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544792
1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084
(4-bromo-2-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815769
(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816373
[(3,5-dichlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289840
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
(4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816422

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine (CID 79780955) is (3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine is CCn1cc(C(N)c2ncc(Cl)cc2Cl)cn1.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine?
The InChIKey is VJGIAZKHUCQOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-2-17-6-7(4-16-17)10(14)11-9(13)3-8(12)5-15-11/h3-6,10H,2,14H2,1H3.
What are the key properties of (3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine?
(3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine has a molecular weight of 271.15 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 79780955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).