3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine

C18H16ClN5 — CID 123364058

IUPAC3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine
SMILESC=C(C=c1c(-c2ccc(Cl)c(N)n2)n[nH]c1=CC)c1cccnc1
InChIInChI=1S/C18H16ClN5/c1-3-15-13(9-11(2)12-5-4-8-21-10-12)17(24-23-15)16-7-6-14(19)18(20)22-16/h3-10,23H,2H2,1H3,(H2,20,22)
InChIKeyYPPWWFCPFILMIW-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.40
Rot. Bonds3

About 3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine

3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine (PubChem CID 123364058) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine
PubChem CID123364058
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine
SMILESC=C(C=c1c(-c2ccc(Cl)c(N)n2)n[nH]c1=CC)c1cccnc1
InChIInChI=1S/C18H16ClN5/c1-3-15-13(9-11(2)12-5-4-8-21-10-12)17(24-23-15)16-7-6-14(19)18(20)22-16/h3-10,23H,2H2,1H3,(H2,20,22)
InChIKeyYPPWWFCPFILMIW-UHFFFAOYSA-N
XLogP2.40
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1Z)-1-[5-[(4E,5E)-5-ethylidene-4-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-2-methyl-1H-pyrrol-3-yl]buta-1,3-dienyl]pyridine
CID 145246653
N-(1-cyclohexylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine;ethane
CID 145246362
N-[[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145247540
2-[(4E,5E)-5-ethylidene-4-(2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137033955
1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine
CID 145245987
2-[(4E,5E)-5-ethylidene-4-[2-(4-methyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole
CID 145033114
(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine
CID 142226114
(E)-[(3Z)-5-bromo-3-(2-pyridin-3-ylprop-2-enylidene)-1H-indol-2-ylidene]methanamine
CID 88936493
2-[(4E,5E)-5-ethylidene-4-[2-(5-ethyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 145247705
2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole
CID 145254867
2-[4-[(2E,3Z)-2-(aminomethylidene)-5-fluoro-3-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-N,N-diethylethanamine
CID 89121578
5-[(3E)-3-[(5E)-5-ethylidene-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine
CID 145246296

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine (CID 123364058) is 3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine is C=C(C=c1c(-c2ccc(Cl)c(N)n2)n[nH]c1=CC)c1cccnc1.
What is the InChIKey of 3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine?
The InChIKey is YPPWWFCPFILMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-3-15-13(9-11(2)12-5-4-8-21-10-12)17(24-23-15)16-7-6-14(19)18(20)22-16/h3-10,23H,2H2,1H3,(H2,20,22).
What are the key properties of 3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine?
3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine has a molecular weight of 337.81 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[5-ethylidene-4-(2-pyridin-3-ylprop-2-enylidene)-1H-pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 123364058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).