7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine

C18H25ClN8 — CID 167912758

IUPAC7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine
SMILESCCn1nnc2c(N3CCCC3c3c(C)nn(CC(C)C)c3Cl)ncnc21
InChIInChI=1S/C18H25ClN8/c1-5-26-18-15(22-24-26)17(20-10-21-18)25-8-6-7-13(25)14-12(4)23-27(16(14)19)9-11(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyJAVZJKCLKIGOEW-UHFFFAOYSA-N
MW388.91 g/mol
LogP3.40
Rot. Bonds5

About 7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine

7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine (PubChem CID 167912758) has the molecular formula C18H25ClN8 and a molecular weight of 388.91 g/mol. Its IUPAC name is 7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine
PubChem CID167912758
Molecular FormulaC18H25ClN8
Molecular Weight388.91 g/mol
Exact Mass388.19
IUPAC Name7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine
SMILESCCn1nnc2c(N3CCCC3c3c(C)nn(CC(C)C)c3Cl)ncnc21
InChIInChI=1S/C18H25ClN8/c1-5-26-18-15(22-24-26)17(20-10-21-18)25-8-6-7-13(25)14-12(4)23-27(16(14)19)9-11(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyJAVZJKCLKIGOEW-UHFFFAOYSA-N
XLogP3.40
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.91
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 167921473
2-chloro-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-purine
CID 167976285
2-chloro-4-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167819991
4-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133472487
3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine
CID 7584319
3-bromo-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-2-methylpyridine
CID 167978780
2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 167792605
9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine
CID 124735733
6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133361895
2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one
CID 122140242
7-(azepan-1-yl)-3-ethyltriazolo[4,5-d]pyrimidine
CID 7584315
1-tert-butyl-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 167985238

Frequently Asked Questions

What is the IUPAC name of 7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine (CID 167912758) is 7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine is CCn1nnc2c(N3CCCC3c3c(C)nn(CC(C)C)c3Cl)ncnc21.
What is the InChIKey of 7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine?
The InChIKey is JAVZJKCLKIGOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN8/c1-5-26-18-15(22-24-26)17(20-10-21-18)25-8-6-7-13(25)14-12(4)23-27(16(14)19)9-11(2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine?
7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine has a molecular weight of 388.91 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 167912758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).