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

C24H26N4O3S — CID 22298610

IUPACN-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC(CC(=O)NC(C)(C)C)c3ccco3)cc12
InChIInChI=1S/C24H26N4O3S/c1-15-17-13-20(32-23(17)28(27-15)16-9-6-5-7-10-16)22(30)25-18(19-11-8-12-31-19)14-21(29)26-24(2,3)4/h5-13,18H,14H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyQOTAXZMPWFMPPM-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.76
Rot. Bonds6

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

N-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 22298610) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID22298610
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC(CC(=O)NC(C)(C)C)c3ccco3)cc12
InChIInChI=1S/C24H26N4O3S/c1-15-17-13-20(32-23(17)28(27-15)16-9-6-5-7-10-16)22(30)25-18(19-11-8-12-31-19)14-21(29)26-24(2,3)4/h5-13,18H,14H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyQOTAXZMPWFMPPM-UHFFFAOYSA-N
XLogP4.76
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 9334464
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
2-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 119199736
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878293
dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium
CID 8936421
3-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 24505123
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 29096960
methyl (2R)-3-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoate
CID 2520796
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 8664409

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 22298610) is N-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)NC(CC(=O)NC(C)(C)C)c3ccco3)cc12.
What is the InChIKey of N-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is QOTAXZMPWFMPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-15-17-13-20(32-23(17)28(27-15)16-9-6-5-7-10-16)22(30)25-18(19-11-8-12-31-19)14-21(29)26-24(2,3)4/h5-13,18H,14H2,1-4H3,(H,25,30)(H,26,29).
What are the key properties of N-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-1-(furan-2-yl)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 22298610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).