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

C17H18N8 — CID 178158314

IUPAC7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccnc2nc(-c3cc([C@@H]4CC4c4cnn(C)c4)nn3C)nn12
InChIInChI=1S/C17H18N8/c1-10-4-5-18-17-20-16(22-25(10)17)15-7-14(21-24(15)3)13-6-12(13)11-8-19-23(2)9-11/h4-5,7-9,12-13H,6H2,1-3H3/t12?,13-/m1/s1
InChIKeyLEWMLBBQISPPBB-ZGTCLIOFSA-N
MW334.39 g/mol
LogP1.84
Rot. Bonds3

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

7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 178158314) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is 7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID178158314
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccnc2nc(-c3cc([C@@H]4CC4c4cnn(C)c4)nn3C)nn12
InChIInChI=1S/C17H18N8/c1-10-4-5-18-17-20-16(22-25(10)17)15-7-14(21-24(15)3)13-6-12(13)11-8-19-23(2)9-11/h4-5,7-9,12-13H,6H2,1-3H3/t12?,13-/m1/s1
InChIKeyLEWMLBBQISPPBB-ZGTCLIOFSA-N
XLogP1.84
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CID 178159103
CID 178159103
6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 178158842
2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine
CID 178159075
6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 178159098
5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole
CID 178158789
ethane;7-methyl-2-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidine;7-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 171509269
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325
2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine
CID 146260881
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 129461582
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
6-[3-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)cyclopropyl]-1-methylpyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 178159140
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 178158314) is 7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccnc2nc(-c3cc([C@@H]4CC4c4cnn(C)c4)nn3C)nn12.
What is the InChIKey of 7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LEWMLBBQISPPBB-ZGTCLIOFSA-N. The full InChI is InChI=1S/C17H18N8/c1-10-4-5-18-17-20-16(22-25(10)17)15-7-14(21-24(15)3)13-6-12(13)11-8-19-23(2)9-11/h4-5,7-9,12-13H,6H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of 7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 334.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 178158314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).