5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane

C16H23Cl2N3 — CID 142202790

IUPAC5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane
SMILESCC.CCCC(C)(c1cc(N)n[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3.C2H6/c1-3-6-14(2,12-8-13(17)19-18-12)10-5-4-9(15)7-11(10)16;1-2/h4-5,7-8H,3,6H2,1-2H3,(H3,17,18,19);1-2H3
InChIKeyGNOYMRJIALAKLV-UHFFFAOYSA-N
MW328.29 g/mol
LogP5.43
Rot. Bonds4

About 5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane

5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane (PubChem CID 142202790) has the molecular formula C16H23Cl2N3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane.

Molecular Properties

Compound Name5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane
PubChem CID142202790
Molecular FormulaC16H23Cl2N3
Molecular Weight328.29 g/mol
Exact Mass327.13
IUPAC Name5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane
SMILESCC.CCCC(C)(c1cc(N)n[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3.C2H6/c1-3-6-14(2,12-8-13(17)19-18-12)10-5-4-9(15)7-11(10)16;1-2/h4-5,7-8H,3,6H2,1-2H3,(H3,17,18,19);1-2H3
InChIKeyGNOYMRJIALAKLV-UHFFFAOYSA-N
XLogP5.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.29
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane?
The IUPAC name of 5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane (CID 142202790) is 5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane.
What is the SMILES notation for 5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane?
The canonical SMILES for 5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane is CC.CCCC(C)(c1cc(N)n[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane?
The InChIKey is GNOYMRJIALAKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3.C2H6/c1-3-6-14(2,12-8-13(17)19-18-12)10-5-4-9(15)7-11(10)16;1-2/h4-5,7-8H,3,6H2,1-2H3,(H3,17,18,19);1-2H3.
What are the key properties of 5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane?
5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane has a molecular weight of 328.29 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dichlorophenyl)pentan-2-yl]-1H-pyrazol-3-amine;ethane is sourced from PubChem (CID 142202790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).