(5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline

C16H15N3S — CID 1095762

IUPAC(5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)[C@H](c1cccs1)Nc1c(C)cccc1-2
InChIInChI=1S/C16H15N3S/c1-10-5-3-6-12-13-9-11(2)18-19(13)16(17-15(10)12)14-7-4-8-20-14/h3-9,16-17H,1-2H3/t16-/m1/s1
InChIKeyPPCLYQFXMDCLBD-MRXNPFEDSA-N
MW281.38 g/mol
LogP4.20
Rot. Bonds1

About (5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline

(5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 1095762) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name(5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID1095762
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name(5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)[C@H](c1cccs1)Nc1c(C)cccc1-2
InChIInChI=1S/C16H15N3S/c1-10-5-3-6-12-13-9-11(2)18-19(13)16(17-15(10)12)14-7-4-8-20-14/h3-9,16-17H,1-2H3/t16-/m1/s1
InChIKeyPPCLYQFXMDCLBD-MRXNPFEDSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-dimethyl-5-(4-methylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3905470
3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095775
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol
CID 1095748
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol
CID 135726011
5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 5169550
4-tert-butyl-6-(2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,3-diol
CID 3158756
(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 136877867
5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 135814136
(5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 136695696
2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095727
(5S)-2,7,9-trimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 135689931
2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3420775

Frequently Asked Questions

What is the IUPAC name of (5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of (5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 1095762) is (5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for (5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for (5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)[C@H](c1cccs1)Nc1c(C)cccc1-2.
What is the InChIKey of (5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is PPCLYQFXMDCLBD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15N3S/c1-10-5-3-6-12-13-9-11(2)18-19(13)16(17-15(10)12)14-7-4-8-20-14/h3-9,16-17H,1-2H3/t16-/m1/s1.
What are the key properties of (5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
(5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 281.38 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 1095762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).