N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine

C14H14ClFN6 — CID 141367856

IUPACN'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine
SMILESNCCNc1cn[nH]c1-c1[nH]ncc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN6/c15-10-5-8(1-2-11(10)16)9-6-19-21-13(9)14-12(7-20-22-14)18-4-3-17/h1-2,5-7,18H,3-4,17H2,(H,19,21)(H,20,22)
InChIKeyQNSLSKWXYYXULA-UHFFFAOYSA-N
MW320.76 g/mol
LogP2.63
Rot. Bonds5

About N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine

N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine (PubChem CID 141367856) has the molecular formula C14H14ClFN6 and a molecular weight of 320.76 g/mol. Its IUPAC name is N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine
PubChem CID141367856
Molecular FormulaC14H14ClFN6
Molecular Weight320.76 g/mol
Exact Mass320.10
IUPAC NameN'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine
SMILESNCCNc1cn[nH]c1-c1[nH]ncc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN6/c15-10-5-8(1-2-11(10)16)9-6-19-21-13(9)14-12(7-20-22-14)18-4-3-17/h1-2,5-7,18H,3-4,17H2,(H,19,21)(H,20,22)
InChIKeyQNSLSKWXYYXULA-UHFFFAOYSA-N
XLogP2.63
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209857
1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209858
1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209911
1-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209912
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209964
1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209965
4-[4-chloro-3-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
CID 118864313
1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601328
5-HT7R antagonist 1 free base
CID 142601329
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601333
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601337
US10155727, Example 62
CID 118864420

Frequently Asked Questions

What is the IUPAC name of N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine (CID 141367856) is N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine is NCCNc1cn[nH]c1-c1[nH]ncc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is QNSLSKWXYYXULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN6/c15-10-5-8(1-2-11(10)16)9-6-19-21-13(9)14-12(7-20-22-14)18-4-3-17/h1-2,5-7,18H,3-4,17H2,(H,19,21)(H,20,22).
What are the key properties of N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine?
N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 320.76 g/mol, XLogP of 2.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 141367856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).