N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine

C15H20N4 — CID 105074740

IUPACN-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1-n1ccc(C2CC2)n1
InChIInChI=1S/C15H20N4/c1-2-7-16-10-13-5-8-17-11-15(13)19-9-6-14(18-19)12-3-4-12/h5-6,8-9,11-12,16H,2-4,7,10H2,1H3
InChIKeyJAHLWORHSOAZMC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.64
Rot. Bonds6

About N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine

N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105074740) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105074740
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1-n1ccc(C2CC2)n1
InChIInChI=1S/C15H20N4/c1-2-7-16-10-13-5-8-17-11-15(13)19-9-6-14(18-19)12-3-4-12/h5-6,8-9,11-12,16H,2-4,7,10H2,1H3
InChIKeyJAHLWORHSOAZMC-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 105074740) is N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccncc1-n1ccc(C2CC2)n1.
What is the InChIKey of N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is JAHLWORHSOAZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-7-16-10-13-5-8-17-11-15(13)19-9-6-14(18-19)12-3-4-12/h5-6,8-9,11-12,16H,2-4,7,10H2,1H3.
What are the key properties of N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105074740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).