(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine

C16H23N3 — CID 105187884

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cc(CC)nn2C)c1
InChIInChI=1S/C16H23N3/c1-4-7-12-8-6-9-13(10-12)16(17)15-11-14(5-2)18-19(15)3/h6,8-11,16H,4-5,7,17H2,1-3H3
InChIKeySXWAMXFHBZZRBH-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.98
Rot. Bonds5

About (3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine

(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine (PubChem CID 105187884) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine
PubChem CID105187884
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cc(CC)nn2C)c1
InChIInChI=1S/C16H23N3/c1-4-7-12-8-6-9-13(10-12)16(17)15-11-14(5-2)18-19(15)3/h6,8-11,16H,4-5,7,17H2,1-3H3
InChIKeySXWAMXFHBZZRBH-UHFFFAOYSA-N
XLogP2.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187932
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974
(3-ethyl-1-methylpyrazol-5-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331991
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105188038
1-(3-propylphenyl)ethanamine
CID 116543909
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187988
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
CID 116936956
(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145412
(3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine
CID 105175242
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(3-propylphenyl)-thiophen-3-ylmethanamine
CID 116543884
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine (CID 105187884) is (3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2cc(CC)nn2C)c1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine?
The InChIKey is SXWAMXFHBZZRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-7-12-8-6-9-13(10-12)16(17)15-11-14(5-2)18-19(15)3/h6,8-11,16H,4-5,7,17H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine?
(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 105187884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).