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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Related Compounds

N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 57523385
1-(4-chlorophenyl)-3-(furan-2-yl)-1H-pyrazol-5-amine
CID 43381275
1-(3,5-dichlorophenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]urea
CID 2822409
5-Furan-2-yl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10829333
2-chloro-6-fluoro-N-(3-(furan-2-yl)-1-(2-hydroxyethyl)-1H-pyrazol-5-yl)benzamide
CID 49677526
N-[3-(2-furyl)-1H-pyrazol-5-yl]-N-(4-methoxybenzyl)amine
CID 57411902
4-chloro-N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)benzamide
CID 135955409
2-chloro-6-fluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzamide
CID 121581405
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide
CID 10250509
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide
CID 10407038
1-(3-Trifluoromethyl-phenyl)-piperidine-4-carboxylic acid (5-furan-2-yl-2H-pyrazol-3-yl)-amide
CID 11704119
1-[(2-Fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine
CID 12018220

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).