N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H20N6O — CID 126821301

IUPACN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(NC(=O)c1cc2ncccn2n1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C19H20N6O/c1-12(2)25-16-8-5-4-7-14(16)22-18(25)13(3)21-19(26)15-11-17-20-9-6-10-24(17)23-15/h4-13H,1-3H3,(H,21,26)
InChIKeyAGTXVVXUONRYNT-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.15
Rot. Bonds4

About N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 126821301) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID126821301
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(NC(=O)c1cc2ncccn2n1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C19H20N6O/c1-12(2)25-16-8-5-4-7-14(16)22-18(25)13(3)21-19(26)15-11-17-20-9-6-10-24(17)23-15/h4-13H,1-3H3,(H,21,26)
InChIKeyAGTXVVXUONRYNT-UHFFFAOYSA-N
XLogP3.15
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685706
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416921
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 119186029
2-(4-chlorophenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 46951717
5-(4-chlorophenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 46951708
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 751172
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide
CID 154762835
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 119890737
3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 99809255
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 42932140

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 126821301) is N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(NC(=O)c1cc2ncccn2n1)c1nc2ccccc2n1C(C)C.
What is the InChIKey of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AGTXVVXUONRYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12(2)25-16-8-5-4-7-14(16)22-18(25)13(3)21-19(26)15-11-17-20-9-6-10-24(17)23-15/h4-13H,1-3H3,(H,21,26).
What are the key properties of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 126821301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).