6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C17H15N5O — CID 118870020

IUPAC6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2nc3c(C#N)cnn3cc2NC2CC2)cc1
InChIInChI=1S/C17H15N5O/c1-23-14-6-2-11(3-7-14)16-15(20-13-4-5-13)10-22-17(21-16)12(8-18)9-19-22/h2-3,6-7,9-10,13,20H,4-5H2,1H3
InChIKeyLVQVSLPOPRRDCX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.85
Rot. Bonds4

About 6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 118870020) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID118870020
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2nc3c(C#N)cnn3cc2NC2CC2)cc1
InChIInChI=1S/C17H15N5O/c1-23-14-6-2-11(3-7-14)16-15(20-13-4-5-13)10-22-17(21-16)12(8-18)9-19-22/h2-3,6-7,9-10,13,20H,4-5H2,1H3
InChIKeyLVQVSLPOPRRDCX-UHFFFAOYSA-N
XLogP2.85
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 118870020) is 6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1ccc(-c2nc3c(C#N)cnn3cc2NC2CC2)cc1.
What is the InChIKey of 6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is LVQVSLPOPRRDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-23-14-6-2-11(3-7-14)16-15(20-13-4-5-13)10-22-17(21-16)12(8-18)9-19-22/h2-3,6-7,9-10,13,20H,4-5H2,1H3.
What are the key properties of 6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 118870020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).