3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide

C23H33N3O3S — CID 71768828

IUPAC3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCOCC2)c2sc(C(=O)NC3CCC(C4CCOCC4)CC3)cc12
InChIInChI=1S/C23H33N3O3S/c1-15-20-14-21(30-23(20)26(25-15)19-8-12-29-13-9-19)22(27)24-18-4-2-16(3-5-18)17-6-10-28-11-7-17/h14,16-19H,2-13H2,1H3,(H,24,27)
InChIKeyKKXAWCQQRPGAKU-UHFFFAOYSA-N
MW431.60 g/mol
LogP4.47
Rot. Bonds4

About 3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 71768828) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID71768828
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCOCC2)c2sc(C(=O)NC3CCC(C4CCOCC4)CC3)cc12
InChIInChI=1S/C23H33N3O3S/c1-15-20-14-21(30-23(20)26(25-15)19-8-12-29-13-9-19)22(27)24-18-4-2-16(3-5-18)17-6-10-28-11-7-17/h14,16-19H,2-13H2,1H3,(H,24,27)
InChIKeyKKXAWCQQRPGAKU-UHFFFAOYSA-N
XLogP4.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 71768828) is 3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C2CCOCC2)c2sc(C(=O)NC3CCC(C4CCOCC4)CC3)cc12.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is KKXAWCQQRPGAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-15-20-14-21(30-23(20)26(25-15)19-8-12-29-13-9-19)22(27)24-18-4-2-16(3-5-18)17-6-10-28-11-7-17/h14,16-19H,2-13H2,1H3,(H,24,27).
What are the key properties of 3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 431.60 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 71768828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).