N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide

C21H23N5O2 — CID 38140397

IUPACN-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
SMILESCn1ncc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1-n1cccc1
InChIInChI=1S/C21H23N5O2/c1-24-20(25-11-5-6-12-25)18(15-22-24)21(28)26-13-9-17(10-14-26)23-19(27)16-7-3-2-4-8-16/h2-8,11-12,15,17H,9-10,13-14H2,1H3,(H,23,27)
InChIKeyXYORNCMYWNAQDF-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.25
Rot. Bonds4

About N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide

N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide (PubChem CID 38140397) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
PubChem CID38140397
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
SMILESCn1ncc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1-n1cccc1
InChIInChI=1S/C21H23N5O2/c1-24-20(25-11-5-6-12-25)18(15-22-24)21(28)26-13-9-17(10-14-26)23-19(27)16-7-3-2-4-8-16/h2-8,11-12,15,17H,9-10,13-14H2,1H3,(H,23,27)
InChIKeyXYORNCMYWNAQDF-UHFFFAOYSA-N
XLogP2.25
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51076591
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 55178974
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 134053187
N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46576774
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 33369256
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide
CID 33309444
N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]benzamide
CID 35945644
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide (CID 38140397) is N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide is Cn1ncc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1-n1cccc1.
What is the InChIKey of N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is XYORNCMYWNAQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24-20(25-11-5-6-12-25)18(15-22-24)21(28)26-13-9-17(10-14-26)23-19(27)16-7-3-2-4-8-16/h2-8,11-12,15,17H,9-10,13-14H2,1H3,(H,23,27).
What are the key properties of N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide?
N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 377.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 38140397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).