4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid

C14H17N3O3 — CID 66863445

IUPAC4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid
SMILESCn1nc(C2CCN(C(=O)O)CC2)cc1-c1ccco1
InChIInChI=1S/C14H17N3O3/c1-16-12(13-3-2-8-20-13)9-11(15-16)10-4-6-17(7-5-10)14(18)19/h2-3,8-10H,4-7H2,1H3,(H,18,19)
InChIKeyKASSVKHXCYEWNV-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.54
Rot. Bonds2

About 4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid

4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid (PubChem CID 66863445) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid
PubChem CID66863445
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid
SMILESCn1nc(C2CCN(C(=O)O)CC2)cc1-c1ccco1
InChIInChI=1S/C14H17N3O3/c1-16-12(13-3-2-8-20-13)9-11(15-16)10-4-6-17(7-5-10)14(18)19/h2-3,8-10H,4-7H2,1H3,(H,18,19)
InChIKeyKASSVKHXCYEWNV-UHFFFAOYSA-N
XLogP2.54
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid (CID 66863445) is 4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid is Cn1nc(C2CCN(C(=O)O)CC2)cc1-c1ccco1.
What is the InChIKey of 4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid?
The InChIKey is KASSVKHXCYEWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16-12(13-3-2-8-20-13)9-11(15-16)10-4-6-17(7-5-10)14(18)19/h2-3,8-10H,4-7H2,1H3,(H,18,19).
What are the key properties of 4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid?
4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-1-methylpyrazol-3-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 66863445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).