4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine

C13H12ClN5 — CID 117437063

IUPAC4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(-n3cccn3)c(Cl)c2)c1N
InChIInChI=1S/C13H12ClN5/c1-18-13(15)10(8-17-18)9-3-4-12(11(14)7-9)19-6-2-5-16-19/h2-8H,15H2,1H3
InChIKeyYFPZYPQNTGGWGI-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.51
Rot. Bonds2

About 4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine

4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117437063) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
PubChem CID117437063
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(-n3cccn3)c(Cl)c2)c1N
InChIInChI=1S/C13H12ClN5/c1-18-13(15)10(8-17-18)9-3-4-12(11(14)7-9)19-6-2-5-16-19/h2-8H,15H2,1H3
InChIKeyYFPZYPQNTGGWGI-UHFFFAOYSA-N
XLogP2.51
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117437053
4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117387554
3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117406065
4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117448979
1-(2-chloro-4-propan-2-ylphenyl)pyrazole
CID 138661009
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
1-(2-chloro-4-fluorophenyl)pyrazole
CID 91212691
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine
CID 117397140
4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117445254

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine (CID 117437063) is 4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc(-n3cccn3)c(Cl)c2)c1N.
What is the InChIKey of 4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is YFPZYPQNTGGWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-18-13(15)10(8-17-18)9-3-4-12(11(14)7-9)19-6-2-5-16-19/h2-8H,15H2,1H3.
What are the key properties of 4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine?
4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 273.73 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117437063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).