(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone

C19H19N5O — CID 137408266

IUPAC(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
SMILESO=C(c1nc2n(n1)C(c1ccccc1)CC2)C1(Cn2cccn2)CC1
InChIInChI=1S/C19H19N5O/c25-17(19(9-10-19)13-23-12-4-11-20-23)18-21-16-8-7-15(24(16)22-18)14-5-2-1-3-6-14/h1-6,11-12,15H,7-10,13H2
InChIKeyKEIDENYTGJNIMO-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.67
Rot. Bonds5

About (5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone

(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone (PubChem CID 137408266) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is (5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
PubChem CID137408266
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
SMILESO=C(c1nc2n(n1)C(c1ccccc1)CC2)C1(Cn2cccn2)CC1
InChIInChI=1S/C19H19N5O/c25-17(19(9-10-19)13-23-12-4-11-20-23)18-21-16-8-7-15(24(16)22-18)14-5-2-1-3-6-14/h1-6,11-12,15H,7-10,13H2
InChIKeyKEIDENYTGJNIMO-UHFFFAOYSA-N
XLogP2.67
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The IUPAC name of (5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone (CID 137408266) is (5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone.
What is the SMILES notation for (5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The canonical SMILES for (5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone is O=C(c1nc2n(n1)C(c1ccccc1)CC2)C1(Cn2cccn2)CC1.
What is the InChIKey of (5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The InChIKey is KEIDENYTGJNIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-17(19(9-10-19)13-23-12-4-11-20-23)18-21-16-8-7-15(24(16)22-18)14-5-2-1-3-6-14/h1-6,11-12,15H,7-10,13H2.
What are the key properties of (5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone has a molecular weight of 333.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone is sourced from PubChem (CID 137408266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).