1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C15H21N7O — CID 126948381

IUPAC1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESCn1nncc1CN1CCC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C15H21N7O/c1-19-13(7-16-18-19)10-20-6-4-12(9-20)22-11-14(8-17-22)21-5-2-3-15(21)23/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyJQWXZFITAVBWNJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.59
Rot. Bonds4

About 1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948381) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126948381
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESCn1nncc1CN1CCC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C15H21N7O/c1-19-13(7-16-18-19)10-20-6-4-12(9-20)22-11-14(8-17-22)21-5-2-3-15(21)23/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyJQWXZFITAVBWNJ-UHFFFAOYSA-N
XLogP0.59
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948429
1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948387
1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948421
1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948332
1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945415
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-[1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948271
1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945446
1-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945248
1-[1-[1-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945561
1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948474

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126948381) is 1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is Cn1nncc1CN1CCC(n2cc(N3CCCC3=O)cn2)C1.
What is the InChIKey of 1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is JQWXZFITAVBWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-19-13(7-16-18-19)10-20-6-4-12(9-20)22-11-14(8-17-22)21-5-2-3-15(21)23/h7-8,11-12H,2-6,9-10H2,1H3.
What are the key properties of 1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 315.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).