1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine

C18H35N3 — CID 104999036

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
SMILESCCCNC(Cc1cc(CC)nn1C)C(CCC)CCC
InChIInChI=1S/C18H35N3/c1-6-10-15(11-7-2)18(19-12-8-3)14-17-13-16(9-4)20-21(17)5/h13,15,18-19H,6-12,14H2,1-5H3
InChIKeySQIXIBZPJWIFSI-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.11
Rot. Bonds11

About 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine (PubChem CID 104999036) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
PubChem CID104999036
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
SMILESCCCNC(Cc1cc(CC)nn1C)C(CCC)CCC
InChIInChI=1S/C18H35N3/c1-6-10-15(11-7-2)18(19-12-8-3)14-17-13-16(9-4)20-21(17)5/h13,15,18-19H,6-12,14H2,1-5H3
InChIKeySQIXIBZPJWIFSI-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
CID 116660904
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 104999026
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine
CID 104996074
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
CID 116718430
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105160172
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105160117
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine
CID 116718230
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105160170

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine (CID 104999036) is 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine is CCCNC(Cc1cc(CC)nn1C)C(CCC)CCC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine?
The InChIKey is SQIXIBZPJWIFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-6-10-15(11-7-2)18(19-12-8-3)14-17-13-16(9-4)20-21(17)5/h13,15,18-19H,6-12,14H2,1-5H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine has a molecular weight of 293.50 g/mol, XLogP of 4.11, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine is sourced from PubChem (CID 104999036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).