1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide

C19H18N6O2 — CID 47008466

IUPAC1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)c(C)n1Cc1ccco1
InChIInChI=1S/C19H18N6O2/c1-13-10-18(14(2)24(13)11-17-4-3-9-27-17)19(26)21-15-5-7-16(8-6-15)25-12-20-22-23-25/h3-10,12H,11H2,1-2H3,(H,21,26)
InChIKeyAPCDXZCZYQBHNR-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.97
Rot. Bonds5

About 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide

1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide (PubChem CID 47008466) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide
PubChem CID47008466
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)c(C)n1Cc1ccco1
InChIInChI=1S/C19H18N6O2/c1-13-10-18(14(2)24(13)11-17-4-3-9-27-17)19(26)21-15-5-7-16(8-6-15)25-12-20-22-23-25/h3-10,12H,11H2,1-2H3,(H,21,26)
InChIKeyAPCDXZCZYQBHNR-UHFFFAOYSA-N
XLogP2.97
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
CID 60556111
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide
CID 47011823
methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 60555964
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrole-3-carboxamide
CID 32967693
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-4-methylbenzoate
CID 30994661
N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
CID 30896780
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-acetamidobenzoate
CID 7654151
N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 134049178
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 43020705

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide (CID 47008466) is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)c(C)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide?
The InChIKey is APCDXZCZYQBHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-13-10-18(14(2)24(13)11-17-4-3-9-27-17)19(26)21-15-5-7-16(8-6-15)25-12-20-22-23-25/h3-10,12H,11H2,1-2H3,(H,21,26).
What are the key properties of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide?
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 47008466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).