4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine

C16H16ClN3O — CID 65153045

IUPAC4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1oc(C)c(-c2[nH]nc(N)c2-c2cccc(Cl)c2)c1C
InChIInChI=1S/C16H16ClN3O/c1-8-9(2)21-10(3)13(8)15-14(16(18)20-19-15)11-5-4-6-12(17)7-11/h4-7H,1-3H3,(H3,18,19,20)
InChIKeyCFTWNZZPWRRDHX-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.50
Rot. Bonds2

About 4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine

4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 65153045) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID65153045
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1oc(C)c(-c2[nH]nc(N)c2-c2cccc(Cl)c2)c1C
InChIInChI=1S/C16H16ClN3O/c1-8-9(2)21-10(3)13(8)15-14(16(18)20-19-15)11-5-4-6-12(17)7-11/h4-7H,1-3H3,(H3,18,19,20)
InChIKeyCFTWNZZPWRRDHX-UHFFFAOYSA-N
XLogP4.50
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153436
4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153292
4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821013
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63524514
4-(3-chlorophenyl)-5-(2,3-difluorophenyl)-1H-pyrazol-3-amine
CID 62648934
4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79692878
5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62828722
5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107955139
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
5-(3-bromo-5-chlorophenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 107955102
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine (CID 65153045) is 4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine is Cc1oc(C)c(-c2[nH]nc(N)c2-c2cccc(Cl)c2)c1C.
What is the InChIKey of 4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is CFTWNZZPWRRDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-8-9(2)21-10(3)13(8)15-14(16(18)20-19-15)11-5-4-6-12(17)7-11/h4-7H,1-3H3,(H3,18,19,20).
What are the key properties of 4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 301.78 g/mol, XLogP of 4.50, 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-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 65153045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).