(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine

C16H23N3 — CID 105140273

IUPAC(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
SMILESCCc1cc(C(N)c2ccc(C)c(C)c2)n(CC)n1
InChIInChI=1S/C16H23N3/c1-5-14-10-15(19(6-2)18-14)16(17)13-8-7-11(3)12(4)9-13/h7-10,16H,5-6,17H2,1-4H3
InChIKeyKCVXDUQVGOFNRS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.13
Rot. Bonds4

About (1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine

(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine (PubChem CID 105140273) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
PubChem CID105140273
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
SMILESCCc1cc(C(N)c2ccc(C)c(C)c2)n(CC)n1
InChIInChI=1S/C16H23N3/c1-5-14-10-15(19(6-2)18-14)16(17)13-8-7-11(3)12(4)9-13/h7-10,16H,5-6,17H2,1-4H3
InChIKeyKCVXDUQVGOFNRS-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 105102122
(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
CID 105188707
(1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106682077
(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
1-(1,3-diethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109456
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine
CID 105161142
cyclopropyl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105157155
1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105184781
[1-(1,3-diethylpyrazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105377996
1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001648
(1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653075

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine (CID 105140273) is (1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine is CCc1cc(C(N)c2ccc(C)c(C)c2)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine?
The InChIKey is KCVXDUQVGOFNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-14-10-15(19(6-2)18-14)16(17)13-8-7-11(3)12(4)9-13/h7-10,16H,5-6,17H2,1-4H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine?
(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 105140273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).