N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C16H14N4O3 — CID 84575392

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc2nccc(C(=O)NCc3ccc4c(c3)OCO4)n2n1
InChIInChI=1S/C16H14N4O3/c1-10-6-15-17-5-4-12(20(15)19-10)16(21)18-8-11-2-3-13-14(7-11)23-9-22-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyFDQBSBKCMFVZMO-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.70
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 84575392) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID84575392
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc2nccc(C(=O)NCc3ccc4c(c3)OCO4)n2n1
InChIInChI=1S/C16H14N4O3/c1-10-6-15-17-5-4-12(20(15)19-10)16(21)18-8-11-2-3-13-14(7-11)23-9-22-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyFDQBSBKCMFVZMO-UHFFFAOYSA-N
XLogP1.70
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35809933
N-(1,3-benzodioxol-5-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851790
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 53054931
N-(1,3-benzodioxol-5-ylmethyl)-2-methyltriazole-4-carboxamide
CID 110691382
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 35763955
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 812350
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169974
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691869
N-(1,3-benzodioxol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110851780
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 84575392) is N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc2nccc(C(=O)NCc3ccc4c(c3)OCO4)n2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is FDQBSBKCMFVZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-6-15-17-5-4-12(20(15)19-10)16(21)18-8-11-2-3-13-14(7-11)23-9-22-13/h2-7H,8-9H2,1H3,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 84575392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).