5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C12H21N3 — CID 166973724

IUPAC5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCC(C)Cc1cc2n(n1)CCN(C)C2
InChIInChI=1S/C12H21N3/c1-4-10(2)7-11-8-12-9-14(3)5-6-15(12)13-11/h8,10H,4-7,9H2,1-3H3
InChIKeyYSTCTAPGDPJIKW-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.92
Rot. Bonds3

About 5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 166973724) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID166973724
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCC(C)Cc1cc2n(n1)CCN(C)C2
InChIInChI=1S/C12H21N3/c1-4-10(2)7-11-8-12-9-14(3)5-6-15(12)13-11/h8,10H,4-7,9H2,1-3H3
InChIKeyYSTCTAPGDPJIKW-UHFFFAOYSA-N
XLogP1.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanamine
CID 82414039
5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 138530395
formaldehyde;5-methyl-2-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 177033704
5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate
CID 162499913
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol
CID 83675637
3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 95714424
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 96576167
N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 72892667
1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea
CID 125447956
(5-pent-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanol
CID 91790243
5-methyl-2-[2-methyl-1-(2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 166973744
6-propan-2-yl-5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
CID 170771966

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 166973724) is 5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CCC(C)Cc1cc2n(n1)CCN(C)C2.
What is the InChIKey of 5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is YSTCTAPGDPJIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-10(2)7-11-8-12-9-14(3)5-6-15(12)13-11/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 207.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 166973724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).