2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H16N4S — CID 136839273

IUPAC2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccsc1-c1cc2n(n1)C(c1cccnc1)CCN2
InChIInChI=1S/C16H16N4S/c1-11-5-8-21-16(11)13-9-15-18-7-4-14(20(15)19-13)12-3-2-6-17-10-12/h2-3,5-6,8-10,14,18H,4,7H2,1H3
InChIKeyGQQUGPVHGPRQNF-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.72
Rot. Bonds2

About 2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136839273) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136839273
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccsc1-c1cc2n(n1)C(c1cccnc1)CCN2
InChIInChI=1S/C16H16N4S/c1-11-5-8-21-16(11)13-9-15-18-7-4-14(20(15)19-13)12-3-2-6-17-10-12/h2-3,5-6,8-10,14,18H,4,7H2,1H3
InChIKeyGQQUGPVHGPRQNF-UHFFFAOYSA-N
XLogP3.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136839273) is 2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1ccsc1-c1cc2n(n1)C(c1cccnc1)CCN2.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is GQQUGPVHGPRQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-11-5-8-21-16(11)13-9-15-18-7-4-14(20(15)19-13)12-3-2-6-17-10-12/h2-3,5-6,8-10,14,18H,4,7H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 296.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).