1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole

C20H25N7 — CID 127957643

IUPAC1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1cc(C)n(-c2ccc(N3CCC(n4cnc5c4CCCC5)C3)nn2)n1
InChIInChI=1S/C20H25N7/c1-14-11-15(2)27(24-14)20-8-7-19(22-23-20)25-10-9-16(12-25)26-13-21-17-5-3-4-6-18(17)26/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3
InChIKeyRBFSLSDHZLJWOF-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.81
Rot. Bonds3

About 1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole

1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 127957643) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID127957643
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1cc(C)n(-c2ccc(N3CCC(n4cnc5c4CCCC5)C3)nn2)n1
InChIInChI=1S/C20H25N7/c1-14-11-15(2)27(24-14)20-8-7-19(22-23-20)25-10-9-16(12-25)26-13-21-17-5-3-4-6-18(17)26/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3
InChIKeyRBFSLSDHZLJWOF-UHFFFAOYSA-N
XLogP2.81
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine
CID 75421709
3-chloro-6-[(3S)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 129488765
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607
N-methyl-2-[(3R)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 129488885
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 90514681
3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339362
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
3-(3,5-dimethylpyrazol-1-yl)-6-(2,3-dimethylpyrrolidin-1-yl)pyridazine
CID 133357588
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]furo[3,2-c]pyridine
CID 165434054
6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 129473090
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-iodophenyl)methyl]piperidine-3-carboxamide
CID 90514647
N-(4-bromo-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90514637

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole (CID 127957643) is 1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole is Cc1cc(C)n(-c2ccc(N3CCC(n4cnc5c4CCCC5)C3)nn2)n1.
What is the InChIKey of 1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is RBFSLSDHZLJWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-14-11-15(2)27(24-14)20-8-7-19(22-23-20)25-10-9-16(12-25)26-13-21-17-5-3-4-6-18(17)26/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole?
1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 363.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 127957643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).