2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid

C11H13N5O4 — CID 19500747

IUPAC2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCOCn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C11H13N5O4/c1-20-7-16-5-9(3-13-16)14-11(19)8-2-12-15(4-8)6-10(17)18/h2-5H,6-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyBSJNZPMWAAPKQE-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.02
Rot. Bonds6

About 2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid

2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500747) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500747
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCOCn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C11H13N5O4/c1-20-7-16-5-9(3-13-16)14-11(19)8-2-12-15(4-8)6-10(17)18/h2-5H,6-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyBSJNZPMWAAPKQE-UHFFFAOYSA-N
XLogP0.02
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid (CID 19500747) is 2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid is COCn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1.
What is the InChIKey of 2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is BSJNZPMWAAPKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-20-7-16-5-9(3-13-16)14-11(19)8-2-12-15(4-8)6-10(17)18/h2-5H,6-7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 279.26 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).