2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid

C10H14N2O2 — CID 65497608

IUPAC2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid
SMILESCc1ccnn1CC1(CC(=O)O)CC1
InChIInChI=1S/C10H14N2O2/c1-8-2-5-11-12(8)7-10(3-4-10)6-9(13)14/h2,5H,3-4,6-7H2,1H3,(H,13,14)
InChIKeyLSLQTIROAJTRBD-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.45
Rot. Bonds4

About 2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 65497608) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID65497608
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid
SMILESCc1ccnn1CC1(CC(=O)O)CC1
InChIInChI=1S/C10H14N2O2/c1-8-2-5-11-12(8)7-10(3-4-10)6-9(13)14/h2,5H,3-4,6-7H2,1H3,(H,13,14)
InChIKeyLSLQTIROAJTRBD-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid (CID 65497608) is 2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid is Cc1ccnn1CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is LSLQTIROAJTRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-2-5-11-12(8)7-10(3-4-10)6-9(13)14/h2,5H,3-4,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65497608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).