N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C25H32N4O2S — CID 3206569

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(C3CCCC3)C(C)C(=O)NC(C)(C)C)cc12
InChIInChI=1S/C25H32N4O2S/c1-16-20-15-21(32-24(20)29(27-16)19-13-7-6-8-14-19)23(31)28(18-11-9-10-12-18)17(2)22(30)26-25(3,4)5/h6-8,13-15,17-18H,9-12H2,1-5H3,(H,26,30)
InChIKeySDNAELJSEJQCQP-UHFFFAOYSA-N
MW452.62 g/mol
LogP5.08
Rot. Bonds5

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3206569) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3206569
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(C3CCCC3)C(C)C(=O)NC(C)(C)C)cc12
InChIInChI=1S/C25H32N4O2S/c1-16-20-15-21(32-24(20)29(27-16)19-13-7-6-8-14-19)23(31)28(18-11-9-10-12-18)17(2)22(30)26-25(3,4)5/h6-8,13-15,17-18H,9-12H2,1-5H3,(H,26,30)
InChIKeySDNAELJSEJQCQP-UHFFFAOYSA-N
XLogP5.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.62
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-propan-2-ylamino]acetate
CID 78885487
[(1R)-2-oxocyclohexyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 8664383
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 9372885
3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096781
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
2-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 119199736
[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878293
N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878059
methyl (2S)-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 95139926

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 3206569) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)N(C3CCCC3)C(C)C(=O)NC(C)(C)C)cc12.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SDNAELJSEJQCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S/c1-16-20-15-21(32-24(20)29(27-16)19-13-7-6-8-14-19)23(31)28(18-11-9-10-12-18)17(2)22(30)26-25(3,4)5/h6-8,13-15,17-18H,9-12H2,1-5H3,(H,26,30).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 452.62 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-cyclopentyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3206569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).