3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid

C16H15N3O2 — CID 118739122

IUPAC3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid
SMILESO=C(O)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12
InChIInChI=1S/C16H15N3O2/c20-16(21)12-9-15(19-7-2-1-3-14(12)19)13-6-8-18(17-13)10-11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,20,21)
InChIKeyWIVKPIWPQZRDNH-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.91
Rot. Bonds4

About 3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid

3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid (PubChem CID 118739122) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid
PubChem CID118739122
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid
SMILESO=C(O)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12
InChIInChI=1S/C16H15N3O2/c20-16(21)12-9-15(19-7-2-1-3-14(12)19)13-6-8-18(17-13)10-11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,20,21)
InChIKeyWIVKPIWPQZRDNH-UHFFFAOYSA-N
XLogP2.91
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid?
The IUPAC name of 3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid (CID 118739122) is 3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid?
The canonical SMILES for 3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid is O=C(O)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12.
What is the InChIKey of 3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid?
The InChIKey is WIVKPIWPQZRDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-16(21)12-9-15(19-7-2-1-3-14(12)19)13-6-8-18(17-13)10-11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,20,21).
What are the key properties of 3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid?
3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizine-1-carboxylic acid is sourced from PubChem (CID 118739122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).