3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide

C22H25N5OS — CID 99811426

IUPAC3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C22H25N5OS/c1-13(11-18-14(2)24-26(5)16(18)4)23-21(28)20-12-19-15(3)25-27(22(19)29-20)17-9-7-6-8-10-17/h6-10,12-13H,11H2,1-5H3,(H,23,28)/t13-/m0/s1
InChIKeySBRBSDLCKNISCV-ZDUSSCGKSA-N
MW407.54 g/mol
LogP4.11
Rot. Bonds5

About 3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 99811426) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID99811426
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C22H25N5OS/c1-13(11-18-14(2)24-26(5)16(18)4)23-21(28)20-12-19-15(3)25-27(22(19)29-20)17-9-7-6-8-10-17/h6-10,12-13H,11H2,1-5H3,(H,23,28)/t13-/m0/s1
InChIKeySBRBSDLCKNISCV-ZDUSSCGKSA-N
XLogP4.11
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
methyl (2R)-3-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoate
CID 2520796
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 44823985
N-[(2R)-1-(2,5-dioxoimidazolidin-1-yl)propan-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819296
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120508597
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium
CID 8936421
N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 29096960
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55948416

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide (CID 99811426) is 3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1.
What is the InChIKey of 3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SBRBSDLCKNISCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-13(11-18-14(2)24-26(5)16(18)4)23-21(28)20-12-19-15(3)25-27(22(19)29-20)17-9-7-6-8-10-17/h6-10,12-13H,11H2,1-5H3,(H,23,28)/t13-/m0/s1.
What are the key properties of 3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 99811426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).