(2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

C21H30N4O — CID 24790840

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCC(Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C21H30N4O/c1-5-25-20(13-16(4)23-25)21(26)24-12-6-7-19(14-24)22-18-10-8-17(9-11-18)15(2)3/h8-11,13,15,19,22H,5-7,12,14H2,1-4H3
InChIKeyZRNDEDZUFBZJAO-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.05
Rot. Bonds5

About (2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

(2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (PubChem CID 24790840) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
PubChem CID24790840
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCC(Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C21H30N4O/c1-5-25-20(13-16(4)23-25)21(26)24-12-6-7-19(14-24)22-18-10-8-17(9-11-18)15(2)3/h8-11,13,15,19,22H,5-7,12,14H2,1-4H3
InChIKeyZRNDEDZUFBZJAO-UHFFFAOYSA-N
XLogP4.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (CID 24790840) is (2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is CCn1nc(C)cc1C(=O)N1CCCC(Nc2ccc(C(C)C)cc2)C1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The InChIKey is ZRNDEDZUFBZJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-25-20(13-16(4)23-25)21(26)24-12-6-7-19(14-24)22-18-10-8-17(9-11-18)15(2)3/h8-11,13,15,19,22H,5-7,12,14H2,1-4H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
(2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone has a molecular weight of 354.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24790840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).