N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide

C21H30N4O2 — CID 126772538

IUPACN-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide
SMILESCCOCC1CCCN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1
InChIInChI=1S/C21H30N4O2/c1-5-27-14-18-7-6-10-24(13-18)21(26)23-19-12-22-25(17(19)4)20-11-15(2)8-9-16(20)3/h8-9,11-12,18H,5-7,10,13-14H2,1-4H3,(H,23,26)
InChIKeyRVOORLWOFRPKRE-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.08
Rot. Bonds5

About N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide

N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide (PubChem CID 126772538) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide
PubChem CID126772538
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide
SMILESCCOCC1CCCN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1
InChIInChI=1S/C21H30N4O2/c1-5-27-14-18-7-6-10-24(13-18)21(26)23-19-12-22-25(17(19)4)20-11-15(2)8-9-16(20)3/h8-9,11-12,18H,5-7,10,13-14H2,1-4H3,(H,23,26)
InChIKeyRVOORLWOFRPKRE-UHFFFAOYSA-N
XLogP4.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide (CID 126772538) is N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide is CCOCC1CCCN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide?
The InChIKey is RVOORLWOFRPKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-5-27-14-18-7-6-10-24(13-18)21(26)23-19-12-22-25(17(19)4)20-11-15(2)8-9-16(20)3/h8-9,11-12,18H,5-7,10,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide?
N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(ethoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126772538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).