2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine

C14H15ClN6S — CID 89364502

IUPAC2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine
SMILESCn1cc(-c2cnn3c(Cl)cc(C4CNCCS4)nc23)cn1
InChIInChI=1S/C14H15ClN6S/c1-20-8-9(5-17-20)10-6-18-21-13(15)4-11(19-14(10)21)12-7-16-2-3-22-12/h4-6,8,12,16H,2-3,7H2,1H3
InChIKeySWZZIZQXZULTEF-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.16
Rot. Bonds2

About 2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine

2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine (PubChem CID 89364502) has the molecular formula C14H15ClN6S and a molecular weight of 334.84 g/mol. Its IUPAC name is 2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine.

Molecular Properties

Compound Name2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine
PubChem CID89364502
Molecular FormulaC14H15ClN6S
Molecular Weight334.84 g/mol
Exact Mass334.08
IUPAC Name2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine
SMILESCn1cc(-c2cnn3c(Cl)cc(C4CNCCS4)nc23)cn1
InChIInChI=1S/C14H15ClN6S/c1-20-8-9(5-17-20)10-6-18-21-13(15)4-11(19-14(10)21)12-7-16-2-3-22-12/h4-6,8,12,16H,2-3,7H2,1H3
InChIKeySWZZIZQXZULTEF-UHFFFAOYSA-N
XLogP2.16
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine?
The IUPAC name of 2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine (CID 89364502) is 2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine.
What is the SMILES notation for 2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine?
The canonical SMILES for 2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine is Cn1cc(-c2cnn3c(Cl)cc(C4CNCCS4)nc23)cn1.
What is the InChIKey of 2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine?
The InChIKey is SWZZIZQXZULTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6S/c1-20-8-9(5-17-20)10-6-18-21-13(15)4-11(19-14(10)21)12-7-16-2-3-22-12/h4-6,8,12,16H,2-3,7H2,1H3.
What are the key properties of 2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine?
2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine has a molecular weight of 334.84 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]thiomorpholine is sourced from PubChem (CID 89364502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).