2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine

C14H13N5O — CID 68606978

IUPAC2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(OCC#Cc3ccn(C)n3)ccn2n1
InChIInChI=1S/C14H13N5O/c1-11-10-13-15-14(6-8-19(13)16-11)20-9-3-4-12-5-7-18(2)17-12/h5-8,10H,9H2,1-2H3
InChIKeyCNTZAGOQSQYXSU-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.20
Rot. Bonds2

About 2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine

2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine (PubChem CID 68606978) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
PubChem CID68606978
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(OCC#Cc3ccn(C)n3)ccn2n1
InChIInChI=1S/C14H13N5O/c1-11-10-13-15-14(6-8-19(13)16-11)20-9-3-4-12-5-7-18(2)17-12/h5-8,10H,9H2,1-2H3
InChIKeyCNTZAGOQSQYXSU-UHFFFAOYSA-N
XLogP1.20
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine (CID 68606978) is 2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine is Cc1cc2nc(OCC#Cc3ccn(C)n3)ccn2n1.
What is the InChIKey of 2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
The InChIKey is CNTZAGOQSQYXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-11-10-13-15-14(6-8-19(13)16-11)20-9-3-4-12-5-7-18(2)17-12/h5-8,10H,9H2,1-2H3.
What are the key properties of 2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine has a molecular weight of 267.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 68606978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).