(4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone

C24H30N4OS — CID 2009988

IUPAC(4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)sc21
InChIInChI=1S/C24H30N4OS/c1-17-8-6-7-11-21(17)28-24-20(18(2)25-28)16-22(30-24)23(29)27-14-12-26(13-15-27)19-9-4-3-5-10-19/h6-8,11,16,19H,3-5,9-10,12-15H2,1-2H3
InChIKeySVGZUNTUUWRQAX-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.79
Rot. Bonds3

About (4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone (PubChem CID 2009988) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
PubChem CID2009988
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)sc21
InChIInChI=1S/C24H30N4OS/c1-17-8-6-7-11-21(17)28-24-20(18(2)25-28)16-22(30-24)23(29)27-14-12-26(13-15-27)19-9-4-3-5-10-19/h6-8,11,16,19H,3-5,9-10,12-15H2,1-2H3
InChIKeySVGZUNTUUWRQAX-UHFFFAOYSA-N
XLogP4.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone (CID 2009988) is (4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone is Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)sc21.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
The InChIKey is SVGZUNTUUWRQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-17-8-6-7-11-21(17)28-24-20(18(2)25-28)16-22(30-24)23(29)27-14-12-26(13-15-27)19-9-4-3-5-10-19/h6-8,11,16,19H,3-5,9-10,12-15H2,1-2H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone has a molecular weight of 422.60 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 2009988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).