4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine

C13H17ClN4 — CID 115069683

IUPAC4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
SMILESNCCCc1cnn(Cc2ccc(Cl)cc2)c1N
InChIInChI=1S/C13H17ClN4/c14-12-5-3-10(4-6-12)9-18-13(16)11(8-17-18)2-1-7-15/h3-6,8H,1-2,7,9,15-16H2
InChIKeyCZNBQKTYCGMXFJ-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.06
Rot. Bonds5

About 4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine

4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine (PubChem CID 115069683) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
PubChem CID115069683
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
SMILESNCCCc1cnn(Cc2ccc(Cl)cc2)c1N
InChIInChI=1S/C13H17ClN4/c14-12-5-3-10(4-6-12)9-18-13(16)11(8-17-18)2-1-7-15/h3-6,8H,1-2,7,9,15-16H2
InChIKeyCZNBQKTYCGMXFJ-UHFFFAOYSA-N
XLogP2.06
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-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

3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 115068649
3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62039586
3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 115068648
3-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276856
[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278852
3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115069221
3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine
CID 82228424
[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
CID 115069654
4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-propylpyrazole
CID 66436656
3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine
CID 115068517
ethyl 5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 778101
ethane;ethyl 5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 144730846

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine?
The IUPAC name of 4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine (CID 115069683) is 4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine is NCCCc1cnn(Cc2ccc(Cl)cc2)c1N.
What is the InChIKey of 4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine?
The InChIKey is CZNBQKTYCGMXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c14-12-5-3-10(4-6-12)9-18-13(16)11(8-17-18)2-1-7-15/h3-6,8H,1-2,7,9,15-16H2.
What are the key properties of 4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine?
4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine has a molecular weight of 264.76 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine is sourced from PubChem (CID 115069683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).