1-(1-methylpyrazol-3-yl)hexan-3-amine

C10H19N3 — CID 82869047

IUPAC1-(1-methylpyrazol-3-yl)hexan-3-amine
SMILESCCCC(N)CCc1ccn(C)n1
InChIInChI=1S/C10H19N3/c1-3-4-9(11)5-6-10-7-8-13(2)12-10/h7-9H,3-6,11H2,1-2H3
InChIKeyOWVLWSOPMIVKFG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.48
Rot. Bonds5

About 1-(1-methylpyrazol-3-yl)hexan-3-amine

1-(1-methylpyrazol-3-yl)hexan-3-amine (PubChem CID 82869047) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)hexan-3-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)hexan-3-amine
PubChem CID82869047
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(1-methylpyrazol-3-yl)hexan-3-amine
SMILESCCCC(N)CCc1ccn(C)n1
InChIInChI=1S/C10H19N3/c1-3-4-9(11)5-6-10-7-8-13(2)12-10/h7-9H,3-6,11H2,1-2H3
InChIKeyOWVLWSOPMIVKFG-UHFFFAOYSA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
CID 64773654
3-(3-bromopentyl)-1-methylpyrazole
CID 82877302
1-(1-methylpyrazol-3-yl)heptan-4-ol
CID 82872149
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
4-(1-methylpyrazol-3-yl)butan-2-ol
CID 82875953
3-(4-chloro-3-methylbutyl)-1-methylpyrazole
CID 82870525
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384
N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine
CID 82870752
2-methyl-4-(1-methylpyrazol-3-yl)butanal
CID 82870516
1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876471
1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine
CID 82870874
3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one
CID 103133558

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)hexan-3-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)hexan-3-amine (CID 82869047) is 1-(1-methylpyrazol-3-yl)hexan-3-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)hexan-3-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)hexan-3-amine is CCCC(N)CCc1ccn(C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)hexan-3-amine?
The InChIKey is OWVLWSOPMIVKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-4-9(11)5-6-10-7-8-13(2)12-10/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)hexan-3-amine?
1-(1-methylpyrazol-3-yl)hexan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)hexan-3-amine is sourced from PubChem (CID 82869047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).