3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

C23H21N5O3 — CID 19506517

IUPAC3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C23H21N5O3/c29-21(30)12-14-27-13-11-20(25-27)23(31)24-15-18-16-28(19-9-5-2-6-10-19)26-22(18)17-7-3-1-4-8-17/h1-11,13,16H,12,14-15H2,(H,24,31)(H,29,30)
InChIKeyOZLHASKYAHEORM-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.14
Rot. Bonds8

About 3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19506517) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19506517
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C23H21N5O3/c29-21(30)12-14-27-13-11-20(25-27)23(31)24-15-18-16-28(19-9-5-2-6-10-19)26-22(18)17-7-3-1-4-8-17/h1-11,13,16H,12,14-15H2,(H,24,31)(H,29,30)
InChIKeyOZLHASKYAHEORM-UHFFFAOYSA-N
XLogP3.14
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19264842
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
4,5-dibromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19288857
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479833
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
CID 31340751
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24516176
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide
CID 42358565
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19506517) is 3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)n1.
What is the InChIKey of 3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is OZLHASKYAHEORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-21(30)12-14-27-13-11-20(25-27)23(31)24-15-18-16-28(19-9-5-2-6-10-19)26-22(18)17-7-3-1-4-8-17/h1-11,13,16H,12,14-15H2,(H,24,31)(H,29,30).
What are the key properties of 3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 415.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19506517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).