N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine

C14H12ClN3O — CID 71677585

IUPACN-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESClc1cccc(CNc2cc(-c3ccco3)[nH]n2)c1
InChIInChI=1S/C14H12ClN3O/c15-11-4-1-3-10(7-11)9-16-14-8-12(17-18-14)13-5-2-6-19-13/h1-8H,9H2,(H2,16,17,18)
InChIKeyMIMHRXQUPZBLEY-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.94
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine

N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (PubChem CID 71677585) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
PubChem CID71677585
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC NameN-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESClc1cccc(CNc2cc(-c3ccco3)[nH]n2)c1
InChIInChI=1S/C14H12ClN3O/c15-11-4-1-3-10(7-11)9-16-14-8-12(17-18-14)13-5-2-6-19-13/h1-8H,9H2,(H2,16,17,18)
InChIKeyMIMHRXQUPZBLEY-UHFFFAOYSA-N
XLogP3.94
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (CID 71677585) is N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine is Clc1cccc(CNc2cc(-c3ccco3)[nH]n2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is MIMHRXQUPZBLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-11-4-1-3-10(7-11)9-16-14-8-12(17-18-14)13-5-2-6-19-13/h1-8H,9H2,(H2,16,17,18).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 273.72 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 71677585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).