6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N7O — CID 56744281

IUPAC6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCc3nc4ccccc4n3C)cnn2c1
InChIInChI=1S/C21H25N7O/c1-4-27(5-2)13-15-10-22-20-16(11-24-28(20)14-15)21(29)23-12-19-25-17-8-6-7-9-18(17)26(19)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,29)
InChIKeyDCSMQDXBXIUTEP-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.39
Rot. Bonds7

About 6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56744281) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56744281
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCc3nc4ccccc4n3C)cnn2c1
InChIInChI=1S/C21H25N7O/c1-4-27(5-2)13-15-10-22-20-16(11-24-28(20)14-15)21(29)23-12-19-25-17-8-6-7-9-18(17)26(19)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,29)
InChIKeyDCSMQDXBXIUTEP-UHFFFAOYSA-N
XLogP2.39
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(diethylaminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56738525
6-(diethylaminomethyl)-N-(2-pyrazol-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56700485
6-(diethylaminomethyl)-N-(1-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56758821
6-(diethylaminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56703054
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56760299
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
6-(diethylaminomethyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56755878
6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95211110
6-(diethylaminomethyl)-N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95191660
1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55583303
methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 134050321

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56744281) is 6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCc3nc4ccccc4n3C)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DCSMQDXBXIUTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-4-27(5-2)13-15-10-22-20-16(11-24-28(20)14-15)21(29)23-12-19-25-17-8-6-7-9-18(17)26(19)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,29).
What are the key properties of 6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56744281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).