N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H20N4O2S — CID 47067682

IUPACN-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C15H20N4O2S/c1-9(16-14(21)10-6-5-7-22-10)13(20)17-12-8-11(18-19-12)15(2,3)4/h5-9H,1-4H3,(H,16,21)(H2,17,18,19,20)
InChIKeyNTROQTLHWOAOFY-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.53
Rot. Bonds4

About N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 47067682) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID47067682
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C15H20N4O2S/c1-9(16-14(21)10-6-5-7-22-10)13(20)17-12-8-11(18-19-12)15(2,3)4/h5-9H,1-4H3,(H,16,21)(H2,17,18,19,20)
InChIKeyNTROQTLHWOAOFY-UHFFFAOYSA-N
XLogP2.53
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide
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N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
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N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619985
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 82110660
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[(2S)-2-cyclohexyl-2-hydroxyacetyl]amino]propanamide
CID 142992313
N-[1-[(3-hydroxy-2-methylbutan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
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N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94797229

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 47067682) is N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is NTROQTLHWOAOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9(16-14(21)10-6-5-7-22-10)13(20)17-12-8-11(18-19-12)15(2,3)4/h5-9H,1-4H3,(H,16,21)(H2,17,18,19,20).
What are the key properties of N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47067682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).