(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine

C16H23N3O2 — CID 105047835

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2c(OC)cnn2CC)c1
InChIInChI=1S/C16H23N3O2/c1-4-9-21-13-8-6-7-12(10-13)15(17)16-14(20-3)11-18-19(16)5-2/h6-8,10-11,15H,4-5,9,17H2,1-3H3
InChIKeyPDPLVKWAFPBYBL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.75
Rot. Bonds7

About (1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine

(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine (PubChem CID 105047835) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine
PubChem CID105047835
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2c(OC)cnn2CC)c1
InChIInChI=1S/C16H23N3O2/c1-4-9-21-13-8-6-7-12(10-13)15(17)16-14(20-3)11-18-19(16)5-2/h6-8,10-11,15H,4-5,9,17H2,1-3H3
InChIKeyPDPLVKWAFPBYBL-UHFFFAOYSA-N
XLogP2.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114646162
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(3-bromo-4-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114660068
(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634160
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115810337
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659168
(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(5-fluoro-3-pyridinyl)-(3-propoxyphenyl)methanamine
CID 115804729

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine (CID 105047835) is (1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(N)c2c(OC)cnn2CC)c1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine?
The InChIKey is PDPLVKWAFPBYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-9-21-13-8-6-7-12(10-13)15(17)16-14(20-3)11-18-19(16)5-2/h6-8,10-11,15H,4-5,9,17H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine?
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 105047835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).