1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one

C19H29N7O — CID 72918776

IUPAC1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESCCn1c(Cn2cccn2)nnc1C1CCN(CCN2CCCC2=O)CC1
InChIInChI=1S/C19H29N7O/c1-2-26-17(15-25-10-4-8-20-25)21-22-19(26)16-6-11-23(12-7-16)13-14-24-9-3-5-18(24)27/h4,8,10,16H,2-3,5-7,9,11-15H2,1H3
InChIKeyATSSFXNKPWBTLD-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.34
Rot. Bonds7

About 1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 72918776) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID72918776
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESCCn1c(Cn2cccn2)nnc1C1CCN(CCN2CCCC2=O)CC1
InChIInChI=1S/C19H29N7O/c1-2-26-17(15-25-10-4-8-20-25)21-22-19(26)16-6-11-23(12-7-16)13-14-24-9-3-5-18(24)27/h4,8,10,16H,2-3,5-7,9,11-15H2,1H3
InChIKeyATSSFXNKPWBTLD-UHFFFAOYSA-N
XLogP1.34
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 72918776) is 1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one is CCn1c(Cn2cccn2)nnc1C1CCN(CCN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is ATSSFXNKPWBTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-2-26-17(15-25-10-4-8-20-25)21-22-19(26)16-6-11-23(12-7-16)13-14-24-9-3-5-18(24)27/h4,8,10,16H,2-3,5-7,9,11-15H2,1H3.
What are the key properties of 1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 371.49 g/mol, XLogP of 1.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 72918776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).