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

C13H19N3O3 — CID 19621957

IUPAC2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCC1CCC(NC(=O)c2cnn(CC(=O)O)c2)CC1
InChIInChI=1S/C13H19N3O3/c1-9-2-4-11(5-3-9)15-13(19)10-6-14-16(7-10)8-12(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,15,19)(H,17,18)
InChIKeySRGKXOBWKKVFOR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.28
Rot. Bonds4

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

2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19621957) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19621957
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCC1CCC(NC(=O)c2cnn(CC(=O)O)c2)CC1
InChIInChI=1S/C13H19N3O3/c1-9-2-4-11(5-3-9)15-13(19)10-6-14-16(7-10)8-12(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,15,19)(H,17,18)
InChIKeySRGKXOBWKKVFOR-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid (CID 19621957) is 2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid is CC1CCC(NC(=O)c2cnn(CC(=O)O)c2)CC1.
What is the InChIKey of 2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is SRGKXOBWKKVFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-2-4-11(5-3-9)15-13(19)10-6-14-16(7-10)8-12(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19621957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).