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

C10H11N5O3 — CID 19500804

IUPAC2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C10H11N5O3/c1-14-5-8(3-11-14)13-10(18)7-2-12-15(4-7)6-9(16)17/h2-5H,6H2,1H3,(H,13,18)(H,16,17)
InChIKeySWSNIGNCIUQBKH-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.05
Rot. Bonds4

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

2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500804) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500804
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C10H11N5O3/c1-14-5-8(3-11-14)13-10(18)7-2-12-15(4-7)6-9(16)17/h2-5H,6H2,1H3,(H,13,18)(H,16,17)
InChIKeySWSNIGNCIUQBKH-UHFFFAOYSA-N
XLogP-0.05
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid (CID 19500804) is 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid is Cn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1.
What is the InChIKey of 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is SWSNIGNCIUQBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-14-5-8(3-11-14)13-10(18)7-2-12-15(4-7)6-9(16)17/h2-5H,6H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 249.23 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).