4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine

C13H16ClN3O2 — CID 19618327

IUPAC4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine
SMILESCCCOc1ccc(OCn2cc(Cl)c(N)n2)cc1
InChIInChI=1S/C13H16ClN3O2/c1-2-7-18-10-3-5-11(6-4-10)19-9-17-8-12(14)13(15)16-17/h3-6,8H,2,7,9H2,1H3,(H2,15,16)
InChIKeyZJMPJQHZHCKFDL-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.94
Rot. Bonds6

About 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine

4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine (PubChem CID 19618327) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine
PubChem CID19618327
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine
SMILESCCCOc1ccc(OCn2cc(Cl)c(N)n2)cc1
InChIInChI=1S/C13H16ClN3O2/c1-2-7-18-10-3-5-11(6-4-10)19-9-17-8-12(14)13(15)16-17/h3-6,8H,2,7,9H2,1H3,(H2,15,16)
InChIKeyZJMPJQHZHCKFDL-UHFFFAOYSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-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-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine
CID 19618340
1-[(4-tert-butylphenoxy)methyl]-4-chloropyrazol-3-amine
CID 19618329
4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine
CID 19618319
1-[(4-propoxyphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618654
4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride
CID 132586358
4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618755
1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine
CID 83216682
4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618842
4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 112589426
4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618822
4-(4-propoxyphenyl)-1,2,4-triazole
CID 91684257
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine (CID 19618327) is 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine is CCCOc1ccc(OCn2cc(Cl)c(N)n2)cc1.
What is the InChIKey of 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine?
The InChIKey is ZJMPJQHZHCKFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-2-7-18-10-3-5-11(6-4-10)19-9-17-8-12(14)13(15)16-17/h3-6,8H,2,7,9H2,1H3,(H2,15,16).
What are the key properties of 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine?
4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine has a molecular weight of 281.74 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine is sourced from PubChem (CID 19618327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).