2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid

C15H21N5O3 — CID 19623533

IUPAC2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ncc(CN(C)C(=O)c2ccn(C(C)C(=O)O)n2)c1C
InChIInChI=1S/C15H21N5O3/c1-5-19-10(2)12(8-16-19)9-18(4)14(21)13-6-7-20(17-13)11(3)15(22)23/h6-8,11H,5,9H2,1-4H3,(H,22,23)
InChIKeyVRVPGVRORHHXTR-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.33
Rot. Bonds6

About 2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid

2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19623533) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19623533
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ncc(CN(C)C(=O)c2ccn(C(C)C(=O)O)n2)c1C
InChIInChI=1S/C15H21N5O3/c1-5-19-10(2)12(8-16-19)9-18(4)14(21)13-6-7-20(17-13)11(3)15(22)23/h6-8,11H,5,9H2,1-4H3,(H,22,23)
InChIKeyVRVPGVRORHHXTR-UHFFFAOYSA-N
XLogP1.33
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
1-[1-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506405
1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[(4-fluorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278511
1-[1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19624355
1-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278880
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53193511
2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478701
2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623448
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea
CID 3698434
4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 17020502
(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
CID 125169618

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19623533) is 2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid is CCn1ncc(CN(C)C(=O)c2ccn(C(C)C(=O)O)n2)c1C.
What is the InChIKey of 2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is VRVPGVRORHHXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-5-19-10(2)12(8-16-19)9-18(4)14(21)13-6-7-20(17-13)11(3)15(22)23/h6-8,11H,5,9H2,1-4H3,(H,22,23).
What are the key properties of 2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid?
2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 319.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).