2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C20H22N8 — CID 178158263

IUPAC2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3cc([C@@H]4CC4c4cnn(C5CC5)c4)nn3C)nc2n1
InChIInChI=1S/C20H22N8/c1-11-6-12(2)28-20(22-11)23-19(25-28)18-8-17(24-26(18)3)16-7-15(16)13-9-21-27(10-13)14-4-5-14/h6,8-10,14-16H,4-5,7H2,1-3H3/t15?,16-/m1/s1
InChIKeyWPAAZQAUGAEOCH-OEMAIJDKSA-N
MW374.45 g/mol
LogP2.94
Rot. Bonds4

About 2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 178158263) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID178158263
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3cc([C@@H]4CC4c4cnn(C5CC5)c4)nn3C)nc2n1
InChIInChI=1S/C20H22N8/c1-11-6-12(2)28-20(22-11)23-19(25-28)18-8-17(24-26(18)3)16-7-15(16)13-9-21-27(10-13)14-4-5-14/h6,8-10,14-16H,4-5,7H2,1-3H3/t15?,16-/m1/s1
InChIKeyWPAAZQAUGAEOCH-OEMAIJDKSA-N
XLogP2.94
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 178158263) is 2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(-c3cc([C@@H]4CC4c4cnn(C5CC5)c4)nn3C)nc2n1.
What is the InChIKey of 2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WPAAZQAUGAEOCH-OEMAIJDKSA-N. The full InChI is InChI=1S/C20H22N8/c1-11-6-12(2)28-20(22-11)23-19(25-28)18-8-17(24-26(18)3)16-7-15(16)13-9-21-27(10-13)14-4-5-14/h6,8-10,14-16H,4-5,7H2,1-3H3/t15?,16-/m1/s1.
What are the key properties of 2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 374.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1R)-2-(1-cyclopropylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 178158263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).