2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C17H17N5O2 — CID 70759636

IUPAC2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(cc1-n1ccnc1-c1cc3n(n1)CCNC3)OCO2
InChIInChI=1S/C17H17N5O2/c1-11-6-15-16(24-10-23-15)8-14(11)21-4-3-19-17(21)13-7-12-9-18-2-5-22(12)20-13/h3-4,6-8,18H,2,5,9-10H2,1H3
InChIKeyAAPKDIWGAKYMDO-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.88
Rot. Bonds2

About 2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 70759636) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID70759636
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(cc1-n1ccnc1-c1cc3n(n1)CCNC3)OCO2
InChIInChI=1S/C17H17N5O2/c1-11-6-15-16(24-10-23-15)8-14(11)21-4-3-19-17(21)13-7-12-9-18-2-5-22(12)20-13/h3-4,6-8,18H,2,5,9-10H2,1H3
InChIKeyAAPKDIWGAKYMDO-UHFFFAOYSA-N
XLogP1.88
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[2-(2-pyridin-2-ylethyl)phenyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70775906
methyl 4-methoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]benzoate
CID 70781917
2-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70732336
1-[2-methyl-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 154894027
2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70770666
2-[1-(9H-fluoren-2-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154894546
6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride
CID 154894085
5-methoxy-6-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 154894726
2-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]phenyl]-1,3,4-thiadiazole
CID 70754023
2-[1-(3-methylsulfanylphenyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70765573
3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 70708546
(2R)-1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95872865

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 70759636) is 2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is Cc1cc2c(cc1-n1ccnc1-c1cc3n(n1)CCNC3)OCO2.
What is the InChIKey of 2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is AAPKDIWGAKYMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-6-15-16(24-10-23-15)8-14(11)21-4-3-19-17(21)13-7-12-9-18-2-5-22(12)20-13/h3-4,6-8,18H,2,5,9-10H2,1H3.
What are the key properties of 2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 323.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 70759636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).