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

C16H20ClN3 — CID 81149996

IUPACN-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2ccc(C3CC3)n2)c(Cl)c1
InChIInChI=1S/C16H20ClN3/c1-2-8-18-11-12-3-6-16(14(17)10-12)20-9-7-15(19-20)13-4-5-13/h3,6-7,9-10,13,18H,2,4-5,8,11H2,1H3
InChIKeyQFLOFQYIWSVOIT-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.90
Rot. Bonds6

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

N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 81149996) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine
PubChem CID81149996
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2ccc(C3CC3)n2)c(Cl)c1
InChIInChI=1S/C16H20ClN3/c1-2-8-18-11-12-3-6-16(14(17)10-12)20-9-7-15(19-20)13-4-5-13/h3,6-7,9-10,13,18H,2,4-5,8,11H2,1H3
InChIKeyQFLOFQYIWSVOIT-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]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

Related Compounds

N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074740
N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63072495
N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 62489650
N-[[3-chloro-4-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 81149134
1-[1-[2-chloro-4-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836689
N-[[3-chloro-4-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690830
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-chlorophenyl]methyl]propan-1-amine
CID 82753054
N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406297
N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 62487619
N-[[3-chloro-4-(3,3-dimethylpyrrolidin-1-yl)phenyl]methyl]propan-1-amine
CID 81149815
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 81143389
N-[[3-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 81144404

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine (CID 81149996) is N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-n2ccc(C3CC3)n2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is QFLOFQYIWSVOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-2-8-18-11-12-3-6-16(14(17)10-12)20-9-7-15(19-20)13-4-5-13/h3,6-7,9-10,13,18H,2,4-5,8,11H2,1H3.
What are the key properties of N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 81149996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).