4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

C13H11ClFN5 — CID 103118931

IUPAC4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCn1ccc(-c2[nH]nc(N)c2-c2cccc(Cl)c2F)n1
InChIInChI=1S/C13H11ClFN5/c1-20-6-5-9(19-20)12-10(13(16)18-17-12)7-3-2-4-8(14)11(7)15/h2-6H,1H3,(H3,16,17,18)
InChIKeyPFCZFNDOCYUJDJ-UHFFFAOYSA-N
MW291.72 g/mol
LogP2.85
Rot. Bonds2

About 4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine (PubChem CID 103118931) has the molecular formula C13H11ClFN5 and a molecular weight of 291.72 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
PubChem CID103118931
Molecular FormulaC13H11ClFN5
Molecular Weight291.72 g/mol
Exact Mass291.07
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCn1ccc(-c2[nH]nc(N)c2-c2cccc(Cl)c2F)n1
InChIInChI=1S/C13H11ClFN5/c1-20-6-5-9(19-20)12-10(13(16)18-17-12)7-3-2-4-8(14)11(7)15/h2-6H,1H3,(H3,16,17,18)
InChIKeyPFCZFNDOCYUJDJ-UHFFFAOYSA-N
XLogP2.85
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118619
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631
4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118857
4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine
CID 82803460
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118649
5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 82802663
4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 82802446
5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 81266292
4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine
CID 114875056
3-(2,6-dichlorophenyl)-1-methylpyrazole
CID 173078305

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine (CID 103118931) is 4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine is Cn1ccc(-c2[nH]nc(N)c2-c2cccc(Cl)c2F)n1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The InChIKey is PFCZFNDOCYUJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN5/c1-20-6-5-9(19-20)12-10(13(16)18-17-12)7-3-2-4-8(14)11(7)15/h2-6H,1H3,(H3,16,17,18).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine has a molecular weight of 291.72 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 103118931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).