3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid

C14H19N5O3 — CID 19491997

IUPAC3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1ccn(CC(C)NC(=O)c2ccnn2CCC(=O)O)n1
InChIInChI=1S/C14H19N5O3/c1-10-4-7-18(17-10)9-11(2)16-14(22)12-3-6-15-19(12)8-5-13(20)21/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyVKTLTFVPGIZWHT-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.68
Rot. Bonds7

About 3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid

3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19491997) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19491997
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1ccn(CC(C)NC(=O)c2ccnn2CCC(=O)O)n1
InChIInChI=1S/C14H19N5O3/c1-10-4-7-18(17-10)9-11(2)16-14(22)12-3-6-15-19(12)8-5-13(20)21/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyVKTLTFVPGIZWHT-UHFFFAOYSA-N
XLogP0.68
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19491997) is 3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid is Cc1ccn(CC(C)NC(=O)c2ccnn2CCC(=O)O)n1.
What is the InChIKey of 3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is VKTLTFVPGIZWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-10-4-7-18(17-10)9-11(2)16-14(22)12-3-6-15-19(12)8-5-13(20)21/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,16,22)(H,20,21).
What are the key properties of 3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid?
3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 305.34 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19491997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).