4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide

C14H18N4O2 — CID 47327832

IUPAC4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cnn(C)c2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C14H18N4O2/c1-5-11-12(9(3)19)8(2)16-13(11)14(20)17-10-6-15-18(4)7-10/h6-7,16H,5H2,1-4H3,(H,17,20)
InChIKeyNOLBCNLVCFGFGM-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.07
Rot. Bonds4

About 4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 47327832) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID47327832
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cnn(C)c2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C14H18N4O2/c1-5-11-12(9(3)19)8(2)16-13(11)14(20)17-10-6-15-18(4)7-10/h6-7,16H,5H2,1-4H3,(H,17,20)
InChIKeyNOLBCNLVCFGFGM-UHFFFAOYSA-N
XLogP2.07
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 47266692
4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60511680
4-acetyl-3-ethyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47278434
4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47265101
4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 51096821
ethyl 1-[3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 55873971
methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 49087127
4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 15997837
4-acetyl-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55875784
ethyl 4-acetyl-5-methyl-3-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxylate
CID 154689025
4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55839720
2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 32605378

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (CID 47327832) is 4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2cnn(C)c2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is NOLBCNLVCFGFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-5-11-12(9(3)19)8(2)16-13(11)14(20)17-10-6-15-18(4)7-10/h6-7,16H,5H2,1-4H3,(H,17,20).
What are the key properties of 4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47327832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).