4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine

C9H7BrN6 — CID 61029452

IUPAC4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(-n3cc(Br)cn3)ncnc21
InChIInChI=1S/C9H7BrN6/c1-15-8-7(3-13-15)9(12-5-11-8)16-4-6(10)2-14-16/h2-5H,1H3
InChIKeyNVIRUNNCFNFKRH-UHFFFAOYSA-N
MW279.10 g/mol
LogP1.31
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine

4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 61029452) has the molecular formula C9H7BrN6 and a molecular weight of 279.10 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID61029452
Molecular FormulaC9H7BrN6
Molecular Weight279.10 g/mol
Exact Mass277.99
IUPAC Name4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(-n3cc(Br)cn3)ncnc21
InChIInChI=1S/C9H7BrN6/c1-15-8-7(3-13-15)9(12-5-11-8)16-4-6(10)2-14-16/h2-5H,1H3
InChIKeyNVIRUNNCFNFKRH-UHFFFAOYSA-N
XLogP1.31
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
5-Ethyl-8-methyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72705092
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864305
8-Bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 165415148
(E)-2-(2-(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)vinyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 90018333
1-methyl-6-(4-methylpiperazin-1-yl)-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 29136870
1,6-Dimethyl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 221093
2-(Propan-2-yl)-2h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 240823
5,8-Dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72705285
3-Bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 82392080
6-Bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 614285

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine (CID 61029452) is 4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(-n3cc(Br)cn3)ncnc21.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is NVIRUNNCFNFKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN6/c1-15-8-7(3-13-15)9(12-5-11-8)16-4-6(10)2-14-16/h2-5H,1H3.
What are the key properties of 4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine?
4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 279.10 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 61029452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).