N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H20N6O — CID 43816278

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2n1
InChIInChI=1S/C19H20N6O/c1-12-10-13(2)25-18(21-12)11-16(24-25)19(26)20-9-5-8-17-22-14-6-3-4-7-15(14)23-17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,26)(H,22,23)
InChIKeySVLRQHASLVCSQH-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.59
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 43816278) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID43816278
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2n1
InChIInChI=1S/C19H20N6O/c1-12-10-13(2)25-18(21-12)11-16(24-25)19(26)20-9-5-8-17-22-14-6-3-4-7-15(14)23-17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,26)(H,22,23)
InChIKeySVLRQHASLVCSQH-UHFFFAOYSA-N
XLogP2.59
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 18783633
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445090
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702804
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 43816278) is N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2n1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SVLRQHASLVCSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12-10-13(2)25-18(21-12)11-16(24-25)19(26)20-9-5-8-17-22-14-6-3-4-7-15(14)23-17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,26)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 43816278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).