N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide

C16H24N4OS — CID 95769663

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN[C@H](c1cccs1)C(C)(C)C
InChIInChI=1S/C16H24N4OS/c1-10-14(11(2)20-19-10)18-13(21)9-17-15(16(3,4)5)12-7-6-8-22-12/h6-8,15,17H,9H2,1-5H3,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyDMCCOIFMCXXRSL-OAHLLOKOSA-N
MW320.46 g/mol
LogP3.40
Rot. Bonds5

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide (PubChem CID 95769663) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide
PubChem CID95769663
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN[C@H](c1cccs1)C(C)(C)C
InChIInChI=1S/C16H24N4OS/c1-10-14(11(2)20-19-10)18-13(21)9-17-15(16(3,4)5)12-7-6-8-22-12/h6-8,15,17H,9H2,1-5H3,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyDMCCOIFMCXXRSL-OAHLLOKOSA-N
XLogP3.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide (CID 95769663) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide is Cc1n[nH]c(C)c1NC(=O)CN[C@H](c1cccs1)C(C)(C)C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide?
The InChIKey is DMCCOIFMCXXRSL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-10-14(11(2)20-19-10)18-13(21)9-17-15(16(3,4)5)12-7-6-8-22-12/h6-8,15,17H,9H2,1-5H3,(H,18,21)(H,19,20)/t15-/m1/s1.
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide has a molecular weight of 320.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]acetamide is sourced from PubChem (CID 95769663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).