1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid

C12H14N4O2 — CID 115445590

IUPAC1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNc2ccn3nccc3n2)CCC1
InChIInChI=1S/C12H14N4O2/c17-11(18)12(4-1-5-12)8-13-9-3-7-16-10(15-9)2-6-14-16/h2-3,6-7H,1,4-5,8H2,(H,13,15)(H,17,18)
InChIKeyADIXPKDCDBSCQO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.40
Rot. Bonds4

About 1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid

1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445590) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115445590
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNc2ccn3nccc3n2)CCC1
InChIInChI=1S/C12H14N4O2/c17-11(18)12(4-1-5-12)8-13-9-3-7-16-10(15-9)2-6-14-16/h2-3,6-7H,1,4-5,8H2,(H,13,15)(H,17,18)
InChIKeyADIXPKDCDBSCQO-UHFFFAOYSA-N
XLogP1.40
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid (CID 115445590) is 1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CNc2ccn3nccc3n2)CCC1.
What is the InChIKey of 1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ADIXPKDCDBSCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-11(18)12(4-1-5-12)8-13-9-3-7-16-10(15-9)2-6-14-16/h2-3,6-7H,1,4-5,8H2,(H,13,15)(H,17,18).
What are the key properties of 1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyrazolo[1,5-a]pyrimidin-5-ylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).