N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine

C16H24N4 — CID 105154860

IUPACN-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine
SMILESCNC(CCc1cccnc1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C16H24N4/c1-13(2)20-10-8-16(19-20)11-15(17-3)7-6-14-5-4-9-18-12-14/h4-5,8-10,12-13,15,17H,6-7,11H2,1-3H3
InChIKeyAZJUUJPYSHMMMC-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.62
Rot. Bonds7

About N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine

N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine (PubChem CID 105154860) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine
PubChem CID105154860
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine
SMILESCNC(CCc1cccnc1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C16H24N4/c1-13(2)20-10-8-16(19-20)11-15(17-3)7-6-14-5-4-9-18-12-14/h4-5,8-10,12-13,15,17H,6-7,11H2,1-3H3
InChIKeyAZJUUJPYSHMMMC-UHFFFAOYSA-N
XLogP2.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-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

4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154857
1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105087512
N-methyl-1-pyridin-3-ylhept-6-en-3-amine
CID 105153411
1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64770857
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105159842
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979
1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105111510
1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105181723
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64771393

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine (CID 105154860) is N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine is CNC(CCc1cccnc1)Cc1ccn(C(C)C)n1.
What is the InChIKey of N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine?
The InChIKey is AZJUUJPYSHMMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(2)20-10-8-16(19-20)11-15(17-3)7-6-14-5-4-9-18-12-14/h4-5,8-10,12-13,15,17H,6-7,11H2,1-3H3.
What are the key properties of N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine?
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105154860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).