4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine

C14H12ClN3O — CID 114821013

IUPAC4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccc(Cl)c2)co1
InChIInChI=1S/C14H12ClN3O/c1-8-5-10(7-19-8)13-12(14(16)18-17-13)9-3-2-4-11(15)6-9/h2-7H,1H3,(H3,16,17,18)
InChIKeyMVJRQQDHLSGDLV-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.88
Rot. Bonds2

About 4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine

4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 114821013) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID114821013
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccc(Cl)c2)co1
InChIInChI=1S/C14H12ClN3O/c1-8-5-10(7-19-8)13-12(14(16)18-17-13)9-3-2-4-11(15)6-9/h2-7H,1H3,(H3,16,17,18)
InChIKeyMVJRQQDHLSGDLV-UHFFFAOYSA-N
XLogP3.88
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-methylfuran-3-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114821095
4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821031
5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63524514
4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821028
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153045
5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 114821119
4-(3-chlorophenyl)-2-methylfuran
CID 69479564
4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79692878
5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107955139
4-(3-chlorophenyl)-5-(2,3-difluorophenyl)-1H-pyrazol-3-amine
CID 62648934
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine (CID 114821013) is 4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2cccc(Cl)c2)co1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is MVJRQQDHLSGDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-8-5-10(7-19-8)13-12(14(16)18-17-13)9-3-2-4-11(15)6-9/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 273.72 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114821013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).