N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine

C14H27N3 — CID 62441352

IUPACN-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
SMILESCCCNCCCC(C)n1nc(C)c(C)c1C
InChIInChI=1S/C14H27N3/c1-6-9-15-10-7-8-11(2)17-14(5)12(3)13(4)16-17/h11,15H,6-10H2,1-5H3
InChIKeyZDKBSLGZFMFYMF-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.15
Rot. Bonds7

About N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine

N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine (PubChem CID 62441352) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
PubChem CID62441352
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
SMILESCCCNCCCC(C)n1nc(C)c(C)c1C
InChIInChI=1S/C14H27N3/c1-6-9-15-10-7-8-11(2)17-14(5)12(3)13(4)16-17/h11,15H,6-10H2,1-5H3
InChIKeyZDKBSLGZFMFYMF-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62441752
3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62442929
N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 62440976
N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine
CID 62566998
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine
CID 62442336
4-(benzotriazol-1-yl)-N-propylpentan-1-amine
CID 62448554
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethylbutan-1-amine
CID 62447877
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine
CID 62567349
1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107886970
2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine
CID 107887997
N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 81019267
4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
CID 65286715

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine?
The IUPAC name of N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine (CID 62441352) is N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine.
What is the SMILES notation for N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine?
The canonical SMILES for N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine is CCCNCCCC(C)n1nc(C)c(C)c1C.
What is the InChIKey of N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine?
The InChIKey is ZDKBSLGZFMFYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-9-15-10-7-8-11(2)17-14(5)12(3)13(4)16-17/h11,15H,6-10H2,1-5H3.
What are the key properties of N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine?
N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine is sourced from PubChem (CID 62441352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).