1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile

C18H15N3 — CID 142362541

IUPAC1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile
SMILESCc1cnn2ccc(-c3ccc(C4(C#N)CC4)cc3)cc12
InChIInChI=1S/C18H15N3/c1-13-11-20-21-9-6-15(10-17(13)21)14-2-4-16(5-3-14)18(12-19)7-8-18/h2-6,9-11H,7-8H2,1H3
InChIKeyHQDZWDFMEPIPBI-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.86
Rot. Bonds2

About 1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile

1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile (PubChem CID 142362541) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile
PubChem CID142362541
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile
SMILESCc1cnn2ccc(-c3ccc(C4(C#N)CC4)cc3)cc12
InChIInChI=1S/C18H15N3/c1-13-11-20-21-9-6-15(10-17(13)21)14-2-4-16(5-3-14)18(12-19)7-8-18/h2-6,9-11H,7-8H2,1H3
InChIKeyHQDZWDFMEPIPBI-UHFFFAOYSA-N
XLogP3.86
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile (CID 142362541) is 1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile is Cc1cnn2ccc(-c3ccc(C4(C#N)CC4)cc3)cc12.
What is the InChIKey of 1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile?
The InChIKey is HQDZWDFMEPIPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-13-11-20-21-9-6-15(10-17(13)21)14-2-4-16(5-3-14)18(12-19)7-8-18/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile?
1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 142362541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).