2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine

C15H29N3O2 — CID 114661446

IUPAC2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(OC)cnn1C)C(OC)C(C)(C)C
InChIInChI=1S/C15H29N3O2/c1-8-9-16-12(14(20-7)15(2,3)4)13-11(19-6)10-17-18(13)5/h10,12,14,16H,8-9H2,1-7H3
InChIKeyOHOMJGKZZKPXQV-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.53
Rot. Bonds7

About 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 114661446) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID114661446
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(OC)cnn1C)C(OC)C(C)(C)C
InChIInChI=1S/C15H29N3O2/c1-8-9-16-12(14(20-7)15(2,3)4)13-11(19-6)10-17-18(13)5/h10,12,14,16H,8-9H2,1-7H3
InChIKeyOHOMJGKZZKPXQV-UHFFFAOYSA-N
XLogP2.53
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114657568
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105046984
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116724937
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 114656917
1-(4-methoxy-1-methylpyrazol-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114657283
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-propylsulfanylethyl]propan-1-amine
CID 114653618
N-[2-(1,3-dioxolan-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 103547224
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
CID 114652904
N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 114660191

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine (CID 114661446) is 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine is CCCNC(c1c(OC)cnn1C)C(OC)C(C)(C)C.
What is the InChIKey of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is OHOMJGKZZKPXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-8-9-16-12(14(20-7)15(2,3)4)13-11(19-6)10-17-18(13)5/h10,12,14,16H,8-9H2,1-7H3.
What are the key properties of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine?
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 114661446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).