4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine

C14H11Cl2N3O — CID 114821028

IUPAC4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccc(Cl)cc2Cl)co1
InChIInChI=1S/C14H11Cl2N3O/c1-7-4-8(6-20-7)13-12(14(17)19-18-13)10-3-2-9(15)5-11(10)16/h2-6H,1H3,(H3,17,18,19)
InChIKeyUWAOVPWQZMOMSD-UHFFFAOYSA-N
MW308.17 g/mol
LogP4.53
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine

4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 114821028) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID114821028
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccc(Cl)cc2Cl)co1
InChIInChI=1S/C14H11Cl2N3O/c1-7-4-8(6-20-7)13-12(14(17)19-18-13)10-3-2-9(15)5-11(10)16/h2-6H,1H3,(H3,17,18,19)
InChIKeyUWAOVPWQZMOMSD-UHFFFAOYSA-N
XLogP4.53
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821013
4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine
CID 106753135
5-(5-methylfuran-3-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114821095
5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 114821119
4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821031
4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine
CID 43157641
4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 63036359
4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 63525572
5-(2,4-dichlorophenyl)-2-methyl-1H-imidazol-4-amine
CID 82477662
5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43805557
5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 64558550
5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62828722

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine (CID 114821028) is 4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2ccc(Cl)cc2Cl)co1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is UWAOVPWQZMOMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-7-4-8(6-20-7)13-12(14(17)19-18-13)10-3-2-9(15)5-11(10)16/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 308.17 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114821028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).