N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine

C20H23N7O — CID 58364677

IUPACN-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)no1
InChIInChI=1S/C20H23N7O/c1-13-8-18(25-28-13)24-19-9-17(14-6-4-3-5-7-14)23-20-16(11-22-27(19)20)15-10-21-26(2)12-15/h8-12,14H,3-7H2,1-2H3,(H,24,25)
InChIKeyVKJVPJUBYKLWJW-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.22
Rot. Bonds4

About N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine

N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 58364677) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID58364677
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)no1
InChIInChI=1S/C20H23N7O/c1-13-8-18(25-28-13)24-19-9-17(14-6-4-3-5-7-14)23-20-16(11-22-27(19)20)15-10-21-26(2)12-15/h8-12,14H,3-7H2,1-2H3,(H,24,25)
InChIKeyVKJVPJUBYKLWJW-UHFFFAOYSA-N
XLogP4.22
TPSA86.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine (CID 58364677) is N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine is Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)no1.
What is the InChIKey of N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is VKJVPJUBYKLWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-13-8-18(25-28-13)24-19-9-17(14-6-4-3-5-7-14)23-20-16(11-22-27(19)20)15-10-21-26(2)12-15/h8-12,14H,3-7H2,1-2H3,(H,24,25).
What are the key properties of N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine?
N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 377.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 58364677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).