(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine

C11H17N5 — CID 102812396

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine
SMILESCCc1nn(C)cc1C(N)c1nccn1C
InChIInChI=1S/C11H17N5/c1-4-9-8(7-16(3)14-9)10(12)11-13-5-6-15(11)2/h5-7,10H,4,12H2,1-3H3
InChIKeyWYSHNYWMAIOXSM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.76
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine

(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine (PubChem CID 102812396) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine
PubChem CID102812396
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine
SMILESCCc1nn(C)cc1C(N)c1nccn1C
InChIInChI=1S/C11H17N5/c1-4-9-8(7-16(3)14-9)10(12)11-13-5-6-15(11)2/h5-7,10H,4,12H2,1-3H3
InChIKeyWYSHNYWMAIOXSM-UHFFFAOYSA-N
XLogP0.76
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 102812630
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine
CID 102812033
(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812253
(3,5-dimethoxypyrazin-2-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812779
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 102812906
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812843
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362548
(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102812830
(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102812622
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine (CID 102812396) is (3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine is CCc1nn(C)cc1C(N)c1nccn1C.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine?
The InChIKey is WYSHNYWMAIOXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-9-8(7-16(3)14-9)10(12)11-13-5-6-15(11)2/h5-7,10H,4,12H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine?
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine has a molecular weight of 219.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 102812396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).