N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C12H15FN4 — CID 65379188

IUPACN-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCn1cc(C(CN)Nc2ccccc2F)cn1
InChIInChI=1S/C12H15FN4/c1-17-8-9(7-15-17)12(6-14)16-11-5-3-2-4-10(11)13/h2-5,7-8,12,16H,6,14H2,1H3
InChIKeyQFGWVKDUIVUOSY-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.67
Rot. Bonds4

About N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 65379188) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID65379188
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC NameN-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCn1cc(C(CN)Nc2ccccc2F)cn1
InChIInChI=1S/C12H15FN4/c1-17-8-9(7-15-17)12(6-14)16-11-5-3-2-4-10(11)13/h2-5,7-8,12,16H,6,14H2,1H3
InChIKeyQFGWVKDUIVUOSY-UHFFFAOYSA-N
XLogP1.67
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 103569661
ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 61001750
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65378148
N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65376288
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83090827
2-(2-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61048451
N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65383877
1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377943
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078
(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571920

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 65379188) is N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is Cn1cc(C(CN)Nc2ccccc2F)cn1.
What is the InChIKey of N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is QFGWVKDUIVUOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-17-8-9(7-15-17)12(6-14)16-11-5-3-2-4-10(11)13/h2-5,7-8,12,16H,6,14H2,1H3.
What are the key properties of N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 234.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 65379188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).