(1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine

C12H16N4 — CID 106754993

IUPAC(1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine
SMILESCCn1cc(C(N)c2ccnc(C)c2)cn1
InChIInChI=1S/C12H16N4/c1-3-16-8-11(7-15-16)12(13)10-4-5-14-9(2)6-10/h4-8,12H,3,13H2,1-2H3
InChIKeyUUFWMUWJIYBQCA-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.65
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine

(1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine (PubChem CID 106754993) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine
PubChem CID106754993
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine
SMILESCCn1cc(C(N)c2ccnc(C)c2)cn1
InChIInChI=1S/C12H16N4/c1-3-16-8-11(7-15-16)12(13)10-4-5-14-9(2)6-10/h4-8,12H,3,13H2,1-2H3
InChIKeyUUFWMUWJIYBQCA-UHFFFAOYSA-N
XLogP1.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816373
(2,5-dimethylpyrazol-3-yl)-(1-ethylpyrazol-4-yl)methanamine
CID 105109125
1-(2-methyl-4-pyridinyl)propan-1-amine
CID 55295377
(4-bromo-2-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815769
(1-ethylpyrazol-4-yl)-quinolin-8-ylmethanamine
CID 105109051
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 113330367
(3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine
CID 79780955
(2-methyl-4-pyridinyl)-(4-phenylphenyl)methanamine
CID 106755381
(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 114024187
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816294
(2,6-dimethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815562

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine?
The IUPAC name of (1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine (CID 106754993) is (1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine is CCn1cc(C(N)c2ccnc(C)c2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine?
The InChIKey is UUFWMUWJIYBQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-16-8-11(7-15-16)12(13)10-4-5-14-9(2)6-10/h4-8,12H,3,13H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine?
(1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 106754993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).