3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine

C12H23N3 — CID 82882611

IUPAC3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)Cc1ccn(C)n1
InChIInChI=1S/C12H23N3/c1-4-7-13-8-5-11(2)10-12-6-9-15(3)14-12/h6,9,11,13H,4-5,7-8,10H2,1-3H3
InChIKeyBKZHIRQEDUVLOL-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.99
Rot. Bonds7

About 3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine

3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine (PubChem CID 82882611) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
PubChem CID82882611
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)Cc1ccn(C)n1
InChIInChI=1S/C12H23N3/c1-4-7-13-8-5-11(2)10-12-6-9-15(3)14-12/h6,9,11,13H,4-5,7-8,10H2,1-3H3
InChIKeyBKZHIRQEDUVLOL-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
CID 82882697
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 82872100
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82871414
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 82878098
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 82877837
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384
2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82870709
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 64779069

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine (CID 82882611) is 3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine is CCCNCCC(C)Cc1ccn(C)n1.
What is the InChIKey of 3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The InChIKey is BKZHIRQEDUVLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-7-13-8-5-11(2)10-12-6-9-15(3)14-12/h6,9,11,13H,4-5,7-8,10H2,1-3H3.
What are the key properties of 3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 82882611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).