1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine

C16H31N3O — CID 105046984

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
SMILESCCCNC(c1c(OC)cnn1C)C(CCC)CCC
InChIInChI=1S/C16H31N3O/c1-6-9-13(10-7-2)15(17-11-8-3)16-14(20-5)12-18-19(16)4/h12-13,15,17H,6-11H2,1-5H3
InChIKeyZDFUKNRTCLNRQM-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.69
Rot. Bonds10

About 1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine

1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine (PubChem CID 105046984) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
PubChem CID105046984
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
SMILESCCCNC(c1c(OC)cnn1C)C(CCC)CCC
InChIInChI=1S/C16H31N3O/c1-6-9-13(10-7-2)15(17-11-8-3)16-14(20-5)12-18-19(16)4/h12-13,15,17H,6-11H2,1-5H3
InChIKeyZDFUKNRTCLNRQM-UHFFFAOYSA-N
XLogP3.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114657568
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 114661446
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105339107
1-(4-methoxy-1-methylpyrazol-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114657283
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 114656917
N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-propylsulfanylethyl]propan-1-amine
CID 114653618
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
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105042520

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine (CID 105046984) is 1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine is CCCNC(c1c(OC)cnn1C)C(CCC)CCC.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine?
The InChIKey is ZDFUKNRTCLNRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-9-13(10-7-2)15(17-11-8-3)16-14(20-5)12-18-19(16)4/h12-13,15,17H,6-11H2,1-5H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine?
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine is sourced from PubChem (CID 105046984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).