3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C7H10ClN3 — CID 82653371

IUPAC3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1nn2c(c1Cl)CNCC2
InChIInChI=1S/C7H10ClN3/c1-5-7(8)6-4-9-2-3-11(6)10-5/h9H,2-4H2,1H3
InChIKeySUWUNBRNVMYFGC-UHFFFAOYSA-N
MW171.63 g/mol
LogP0.95
Rot. Bonds

About 3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 82653371) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID82653371
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1nn2c(c1Cl)CNCC2
InChIInChI=1S/C7H10ClN3/c1-5-7(8)6-4-9-2-3-11(6)10-5/h9H,2-4H2,1H3
InChIKeySUWUNBRNVMYFGC-UHFFFAOYSA-N
XLogP0.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83886221
3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
CID 170224167
3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 170622243
1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile
CID 121392519
9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole
CID 91812066
3-bromo-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 90898270
3-iodo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
CID 130114995
1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 75465061
3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 144863048
3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83904556
tert-butyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 169107925
2-(3,5-dichloro-4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118080295

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 82653371) is 3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is Cc1nn2c(c1Cl)CNCC2.
What is the InChIKey of 3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is SUWUNBRNVMYFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-5-7(8)6-4-9-2-3-11(6)10-5/h9H,2-4H2,1H3.
What are the key properties of 3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 171.63 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 82653371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).