3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine

C14H15N5 — CID 103123758

IUPAC3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine
SMILESCC1CCCc2[nH]c(-c3cnn4ccncc34)nc21
InChIInChI=1S/C14H15N5/c1-9-3-2-4-11-13(9)18-14(17-11)10-7-16-19-6-5-15-8-12(10)19/h5-9H,2-4H2,1H3,(H,17,18)
InChIKeyQPKJNPDAXYLQGX-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.56
Rot. Bonds1

About 3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine

3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 103123758) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine
PubChem CID103123758
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine
SMILESCC1CCCc2[nH]c(-c3cnn4ccncc34)nc21
InChIInChI=1S/C14H15N5/c1-9-3-2-4-11-13(9)18-14(17-11)10-7-16-19-6-5-15-8-12(10)19/h5-9H,2-4H2,1H3,(H,17,18)
InChIKeyQPKJNPDAXYLQGX-UHFFFAOYSA-N
XLogP2.56
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrazolo[1,5-a]pyrazin-3-yl-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine
CID 103123795
1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
CID 103117533
2-pyrazolo[1,5-a]pyrazin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 103119978
2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine
CID 103512426
2-methyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazol-3-amine
CID 103117526
3-(2-methyl-4H-azepin-7-yl)pyrazolo[1,5-a]pyrazine
CID 123332993
2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 103022933
2-(2,2-dimethylcyclopentyl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 107186419
4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine
CID 102970197
cycloheptyl(pyrazolo[1,5-a]pyrazin-3-yl)methanol
CID 103129150
9-(4,4-difluorocyclohexyl)-2-pyrazolo[1,5-a]pyrazin-3-yl-7H-purin-8-one
CID 54767864
pyrazolo[1,5-a]pyrazin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 103127666

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine (CID 103123758) is 3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine is CC1CCCc2[nH]c(-c3cnn4ccncc34)nc21.
What is the InChIKey of 3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is QPKJNPDAXYLQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-3-2-4-11-13(9)18-14(17-11)10-7-16-19-6-5-15-8-12(10)19/h5-9H,2-4H2,1H3,(H,17,18).
What are the key properties of 3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine?
3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 253.31 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 103123758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).