N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide

C18H19N5O2S — CID 51998925

IUPACN-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2c(C)nsc2C)nn1-c1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-4-16(24)19-15-10-14(21-23(15)13-8-6-5-7-9-13)18(25)20-17-11(2)22-26-12(17)3/h5-10H,4H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyQVIRLPSHLSRDOF-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.55
Rot. Bonds5

About N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide

N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide (PubChem CID 51998925) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
PubChem CID51998925
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2c(C)nsc2C)nn1-c1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-4-16(24)19-15-10-14(21-23(15)13-8-6-5-7-9-13)18(25)20-17-11(2)22-26-12(17)3/h5-10H,4H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyQVIRLPSHLSRDOF-UHFFFAOYSA-N
XLogP3.55
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-naphthalen-1-yl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998761
methyl 2-methyl-5-[[1-phenyl-5-(propanoylamino)pyrazole-3-carbonyl]amino]benzoate
CID 51998847
N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998872
N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998908
N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998912
ethyl 4-[(5-acetamido-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 51999347
N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998819
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
CID 21369239
ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate
CID 23630616
5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
CID 51999377
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethoxy-1-phenylpyrazole-3-carboxamide
CID 75537668
5-acetamido-N-[2-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51999490

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide (CID 51998925) is N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide is CCC(=O)Nc1cc(C(=O)Nc2c(C)nsc2C)nn1-c1ccccc1.
What is the InChIKey of N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
The InChIKey is QVIRLPSHLSRDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-4-16(24)19-15-10-14(21-23(15)13-8-6-5-7-9-13)18(25)20-17-11(2)22-26-12(17)3/h5-10H,4H2,1-3H3,(H,19,24)(H,20,25).
What are the key properties of N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide?
N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 51998925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).