ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone

C16H25N5O — CID 171811495

IUPACethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC.CC1=CNNC(c2cn(C)nc2C(=O)N2CCCC2)=C1
InChIInChI=1S/C14H19N5O.C2H6/c1-10-7-12(16-15-8-10)11-9-18(2)17-13(11)14(20)19-5-3-4-6-19;1-2/h7-9,15-16H,3-6H2,1-2H3;1-2H3
InChIKeyNBDCPIFBISUUAW-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.03
Rot. Bonds2

About ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone

ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 171811495) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Nameethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID171811495
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Nameethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC.CC1=CNNC(c2cn(C)nc2C(=O)N2CCCC2)=C1
InChIInChI=1S/C14H19N5O.C2H6/c1-10-7-12(16-15-8-10)11-9-18(2)17-13(11)14(20)19-5-3-4-6-19;1-2/h7-9,15-16H,3-6H2,1-2H3;1-2H3
InChIKeyNBDCPIFBISUUAW-UHFFFAOYSA-N
XLogP2.03
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 171811495) is ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone is CC.CC1=CNNC(c2cn(C)nc2C(=O)N2CCCC2)=C1.
What is the InChIKey of ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NBDCPIFBISUUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.C2H6/c1-10-7-12(16-15-8-10)11-9-18(2)17-13(11)14(20)19-5-3-4-6-19;1-2/h7-9,15-16H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 171811495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).