4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide

C22H23N5O4 — CID 176705203

IUPAC4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)cc1NC(=O)c1cccc(N2CCOC(CO)C2)c1
InChIInChI=1S/C22H23N5O4/c23-21(29)20-19(13-27(25-20)16-6-2-1-3-7-16)24-22(30)15-5-4-8-17(11-15)26-9-10-31-18(12-26)14-28/h1-8,11,13,18,28H,9-10,12,14H2,(H2,23,29)(H,24,30)
InChIKeyVIEBEBPMZYBTQD-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.42
Rot. Bonds6

About 4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide

4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 176705203) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID176705203
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)cc1NC(=O)c1cccc(N2CCOC(CO)C2)c1
InChIInChI=1S/C22H23N5O4/c23-21(29)20-19(13-27(25-20)16-6-2-1-3-7-16)24-22(30)15-5-4-8-17(11-15)26-9-10-31-18(12-26)14-28/h1-8,11,13,18,28H,9-10,12,14H2,(H2,23,29)(H,24,30)
InChIKeyVIEBEBPMZYBTQD-UHFFFAOYSA-N
XLogP1.42
TPSA122.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 176705203) is 4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is NC(=O)c1nn(-c2ccccc2)cc1NC(=O)c1cccc(N2CCOC(CO)C2)c1.
What is the InChIKey of 4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is VIEBEBPMZYBTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c23-21(29)20-19(13-27(25-20)16-6-2-1-3-7-16)24-22(30)15-5-4-8-17(11-15)26-9-10-31-18(12-26)14-28/h1-8,11,13,18,28H,9-10,12,14H2,(H2,23,29)(H,24,30).
What are the key properties of 4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 176705203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).