5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide

C14H20N4O — CID 91783089

IUPAC5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CC)c2ccnn2C)[nH]1
InChIInChI=1S/C14H20N4O/c1-4-10-6-7-12(16-10)14(19)17-11(5-2)13-8-9-15-18(13)3/h6-9,11,16H,4-5H2,1-3H3,(H,17,19)
InChIKeyICPYHGKICJNBLD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.19
Rot. Bonds5

About 5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide

5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 91783089) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
PubChem CID91783089
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CC)c2ccnn2C)[nH]1
InChIInChI=1S/C14H20N4O/c1-4-10-6-7-12(16-10)14(19)17-11(5-2)13-8-9-15-18(13)3/h6-9,11,16H,4-5H2,1-3H3,(H,17,19)
InChIKeyICPYHGKICJNBLD-UHFFFAOYSA-N
XLogP2.19
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-oxo-1H-pyridine-2-carboxamide
CID 126436244
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 91796797
2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
CID 50968548
N-[1-(2-methylpyrazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91842330
6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide
CID 95554120
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126425657
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
CID 125437307
1-(2-methylpyrazol-3-yl)propylhydrazine
CID 105200909
2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
CID 95121354
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95525394
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97203575

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide (CID 91783089) is 5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide is CCc1ccc(C(=O)NC(CC)c2ccnn2C)[nH]1.
What is the InChIKey of 5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ICPYHGKICJNBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-10-6-7-12(16-10)14(19)17-11(5-2)13-8-9-15-18(13)3/h6-9,11,16H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide?
5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91783089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).