6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide

C20H22N4O2 — CID 71768476

IUPAC6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3n(n2)CN(Cc2ccccc2)CC3)o1
InChIInChI=1S/C20H22N4O2/c1-15-7-8-18(26-15)12-21-20(25)19-11-17-9-10-23(14-24(17)22-19)13-16-5-3-2-4-6-16/h2-8,11H,9-10,12-14H2,1H3,(H,21,25)
InChIKeyNOBUMDKPLHXSIT-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.73
Rot. Bonds5

About 6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide

6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide (PubChem CID 71768476) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide
PubChem CID71768476
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3n(n2)CN(Cc2ccccc2)CC3)o1
InChIInChI=1S/C20H22N4O2/c1-15-7-8-18(26-15)12-21-20(25)19-11-17-9-10-23(14-24(17)22-19)13-16-5-3-2-4-6-16/h2-8,11H,9-10,12-14H2,1H3,(H,21,25)
InChIKeyNOBUMDKPLHXSIT-UHFFFAOYSA-N
XLogP2.73
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051132
ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate
CID 102228953
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53135627
N-[(5-methylfuran-2-yl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53029195
5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160831
5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25493204
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452
N-[[7-[(5-methylfuran-2-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]pyridine-2-carboxamide
CID 126464392
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 176672860
N-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97442824

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide?
The IUPAC name of 6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide (CID 71768476) is 6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide?
The canonical SMILES for 6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide is Cc1ccc(CNC(=O)c2cc3n(n2)CN(Cc2ccccc2)CC3)o1.
What is the InChIKey of 6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide?
The InChIKey is NOBUMDKPLHXSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-7-8-18(26-15)12-21-20(25)19-11-17-9-10-23(14-24(17)22-19)13-16-5-3-2-4-6-16/h2-8,11H,9-10,12-14H2,1H3,(H,21,25).
What are the key properties of 6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide?
6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 71768476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).