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

C10H16ClN3 — CID 83886221

IUPAC2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC(C)(C)c1nn2c(c1Cl)CNCC2
InChIInChI=1S/C10H16ClN3/c1-10(2,3)9-8(11)7-6-12-4-5-14(7)13-9/h12H,4-6H2,1-3H3
InChIKeyOROROAPLEDTDPR-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.94
Rot. Bonds

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

2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 83886221) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID83886221
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC(C)(C)c1nn2c(c1Cl)CNCC2
InChIInChI=1S/C10H16ClN3/c1-10(2,3)9-8(11)7-6-12-4-5-14(7)13-9/h12H,4-6H2,1-3H3
InChIKeyOROROAPLEDTDPR-UHFFFAOYSA-N
XLogP1.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 82653371
1-tert-butyl-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 83637202
3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
CID 170224167
1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile
CID 121392519
tert-butyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 169107925
2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;molecular hydrogen
CID 170573510
3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 170622243
3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586985
3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)-4-chlorobenzoic acid
CID 110458961
5-bromo-3-tert-butyl-4-chloro-1-methylpyrazole
CID 146943793
9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole
CID 91812066
3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587007

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 83886221) is 2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC(C)(C)c1nn2c(c1Cl)CNCC2.
What is the InChIKey of 2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is OROROAPLEDTDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-10(2,3)9-8(11)7-6-12-4-5-14(7)13-9/h12H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 213.71 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 83886221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).