2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid

C12H15N5O3 — CID 19502452

IUPAC2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESCC(Cn1cccn1)NC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H15N5O3/c1-9(6-16-4-2-3-13-16)15-12(20)10-5-14-17(7-10)8-11(18)19/h2-5,7,9H,6,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyATFDRHYUJQAXRB-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.02
Rot. Bonds6

About 2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid

2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19502452) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19502452
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESCC(Cn1cccn1)NC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H15N5O3/c1-9(6-16-4-2-3-13-16)15-12(20)10-5-14-17(7-10)8-11(18)19/h2-5,7,9H,6,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyATFDRHYUJQAXRB-UHFFFAOYSA-N
XLogP-0.02
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19502452) is 2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid is CC(Cn1cccn1)NC(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is ATFDRHYUJQAXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-9(6-16-4-2-3-13-16)15-12(20)10-5-14-17(7-10)8-11(18)19/h2-5,7,9H,6,8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 277.28 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19502452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).