1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide

C16H18N4O2 — CID 47011823

IUPAC1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccn(C)n2)c(C)n1Cc1ccco1
InChIInChI=1S/C16H18N4O2/c1-11-9-14(16(21)17-15-6-7-19(3)18-15)12(2)20(11)10-13-5-4-8-22-13/h4-9H,10H2,1-3H3,(H,17,18,21)
InChIKeyOBTUKFMJVUKLDO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.73
Rot. Bonds4

About 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide

1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide (PubChem CID 47011823) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide
PubChem CID47011823
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccn(C)n2)c(C)n1Cc1ccco1
InChIInChI=1S/C16H18N4O2/c1-11-9-14(16(21)17-15-6-7-19(3)18-15)12(2)20(11)10-13-5-4-8-22-13/h4-9H,10H2,1-3H3,(H,17,18,21)
InChIKeyOBTUKFMJVUKLDO-UHFFFAOYSA-N
XLogP2.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 43020705
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide
CID 47008466
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
CID 60556111
methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-4-methylbenzoate
CID 30994661
N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 134049178
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32687612
N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 134049269
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-3-carboxamide
CID 51097792
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30994481
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrole-3-carboxamide
CID 32967693

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide (CID 47011823) is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide?
The InChIKey is OBTUKFMJVUKLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-9-14(16(21)17-15-6-7-19(3)18-15)12(2)20(11)10-13-5-4-8-22-13/h4-9H,10H2,1-3H3,(H,17,18,21).
What are the key properties of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide?
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 47011823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).