2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid

C15H19N3O2S — CID 104730111

IUPAC2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESCC(C)c1cc2c(SCC3(CC(=O)O)CC3)nccn2n1
InChIInChI=1S/C15H19N3O2S/c1-10(2)11-7-12-14(16-5-6-18(12)17-11)21-9-15(3-4-15)8-13(19)20/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyALHJCTCQHWTNEI-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.20
Rot. Bonds6

About 2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid

2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 104730111) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID104730111
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESCC(C)c1cc2c(SCC3(CC(=O)O)CC3)nccn2n1
InChIInChI=1S/C15H19N3O2S/c1-10(2)11-7-12-14(16-5-6-18(12)17-11)21-9-15(3-4-15)8-13(19)20/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyALHJCTCQHWTNEI-UHFFFAOYSA-N
XLogP3.20
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid (CID 104730111) is 2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid is CC(C)c1cc2c(SCC3(CC(=O)O)CC3)nccn2n1.
What is the InChIKey of 2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is ALHJCTCQHWTNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)11-7-12-14(16-5-6-18(12)17-11)21-9-15(3-4-15)8-13(19)20/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 305.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 104730111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).