5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide

C19H26N6O2 — CID 71486681

IUPAC5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide
SMILESCOc1nn(-c2ccccc2)c(N2CCC(N3CCNC3)CC2)c1C(N)=O
InChIInChI=1S/C19H26N6O2/c1-27-18-16(17(20)26)19(25(22-18)15-5-3-2-4-6-15)23-10-7-14(8-11-23)24-12-9-21-13-24/h2-6,14,21H,7-13H2,1H3,(H2,20,26)
InChIKeyDEUXMSDBYUXYQW-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.81
Rot. Bonds5

About 5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide

5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide (PubChem CID 71486681) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide
PubChem CID71486681
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide
SMILESCOc1nn(-c2ccccc2)c(N2CCC(N3CCNC3)CC2)c1C(N)=O
InChIInChI=1S/C19H26N6O2/c1-27-18-16(17(20)26)19(25(22-18)15-5-3-2-4-6-15)23-10-7-14(8-11-23)24-12-9-21-13-24/h2-6,14,21H,7-13H2,1H3,(H2,20,26)
InChIKeyDEUXMSDBYUXYQW-UHFFFAOYSA-N
XLogP0.81
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide (CID 71486681) is 5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide is COc1nn(-c2ccccc2)c(N2CCC(N3CCNC3)CC2)c1C(N)=O.
What is the InChIKey of 5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide?
The InChIKey is DEUXMSDBYUXYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-27-18-16(17(20)26)19(25(22-18)15-5-3-2-4-6-15)23-10-7-14(8-11-23)24-12-9-21-13-24/h2-6,14,21H,7-13H2,1H3,(H2,20,26).
What are the key properties of 5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide?
5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 71486681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).