4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine

C14H27N3 — CID 82872100

IUPAC4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
SMILESCCCNCC(Cc1ccn(C)n1)CC(C)C
InChIInChI=1S/C14H27N3/c1-5-7-15-11-13(9-12(2)3)10-14-6-8-17(4)16-14/h6,8,12-13,15H,5,7,9-11H2,1-4H3
InChIKeyZHFJTUWDFPGHLK-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.62
Rot. Bonds8

About 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine

4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine (PubChem CID 82872100) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
PubChem CID82872100
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
SMILESCCCNCC(Cc1ccn(C)n1)CC(C)C
InChIInChI=1S/C14H27N3/c1-5-7-15-11-13(9-12(2)3)10-14-6-8-17(4)16-14/h6,8,12-13,15H,5,7,9-11H2,1-4H3
InChIKeyZHFJTUWDFPGHLK-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.62
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

4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82872101
3-[2-(chloromethyl)-4-methylpentyl]-1-methylpyrazole
CID 82871627
3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 82882611
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82871414
2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82870709
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82871294
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82872115
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 82870831
2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol
CID 82871623
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine?
The IUPAC name of 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine (CID 82872100) is 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine.
What is the SMILES notation for 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine?
The canonical SMILES for 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine is CCCNCC(Cc1ccn(C)n1)CC(C)C.
What is the InChIKey of 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine?
The InChIKey is ZHFJTUWDFPGHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-7-15-11-13(9-12(2)3)10-14-6-8-17(4)16-14/h6,8,12-13,15H,5,7,9-11H2,1-4H3.
What are the key properties of 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine?
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine is sourced from PubChem (CID 82872100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).