2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid

C12H14N4O4 — CID 62522870

IUPAC2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
SMILESCc1ccc(CNC(=O)Nc2cnn(CC(=O)O)c2)o1
InChIInChI=1S/C12H14N4O4/c1-8-2-3-10(20-8)5-13-12(19)15-9-4-14-16(6-9)7-11(17)18/h2-4,6H,5,7H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyWSNMQQDMRXQXBA-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.19
Rot. Bonds5

About 2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid

2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid (PubChem CID 62522870) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
PubChem CID62522870
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
SMILESCc1ccc(CNC(=O)Nc2cnn(CC(=O)O)c2)o1
InChIInChI=1S/C12H14N4O4/c1-8-2-3-10(20-8)5-13-12(19)15-9-4-14-16(6-9)7-11(17)18/h2-4,6H,5,7H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyWSNMQQDMRXQXBA-UHFFFAOYSA-N
XLogP1.19
TPSA109.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 106402817
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191990
2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107586035
2-bromo-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 115296876
3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523742
2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 107000358
2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 106238927
2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62524083
2-[4-[(3-chloro-2-methylphenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61182770

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid (CID 62522870) is 2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid is Cc1ccc(CNC(=O)Nc2cnn(CC(=O)O)c2)o1.
What is the InChIKey of 2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is WSNMQQDMRXQXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-8-2-3-10(20-8)5-13-12(19)15-9-4-14-16(6-9)7-11(17)18/h2-4,6H,5,7H2,1H3,(H,17,18)(H2,13,15,19).
What are the key properties of 2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 278.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 62522870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).