N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

C16H23FN4 — CID 103571826

IUPACN-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(CC)c2cccc(F)c2)cn1
InChIInChI=1S/C16H23FN4/c1-3-8-20-12-13(11-19-20)16(10-18)21(4-2)15-7-5-6-14(17)9-15/h5-7,9,11-12,16H,3-4,8,10,18H2,1-2H3
InChIKeyUHRVCKKPBDVZLN-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.96
Rot. Bonds7

About N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 103571826) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID103571826
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC NameN-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(CC)c2cccc(F)c2)cn1
InChIInChI=1S/C16H23FN4/c1-3-8-20-12-13(11-19-20)16(10-18)21(4-2)15-7-5-6-14(17)9-15/h5-7,9,11-12,16H,3-4,8,10,18H2,1-2H3
InChIKeyUHRVCKKPBDVZLN-UHFFFAOYSA-N
XLogP2.96
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571920
N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571806
N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571837
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 103569563
N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571960
(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114981635
(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
CID 115808100
1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 61077098
N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571807
(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 63895060
3-(N-ethyl-3-fluoroanilino)butan-2-ol
CID 78977221
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569436

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (CID 103571826) is N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is CCCn1cc(C(CN)N(CC)c2cccc(F)c2)cn1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is UHRVCKKPBDVZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-3-8-20-12-13(11-19-20)16(10-18)21(4-2)15-7-5-6-14(17)9-15/h5-7,9,11-12,16H,3-4,8,10,18H2,1-2H3.
What are the key properties of N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 290.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 103571826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).