N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide

C14H19N3O2S — CID 71985094

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC(C)(O)c2cccs2)n[nH]1
InChIInChI=1S/C14H19N3O2S/c1-3-5-10-8-11(17-16-10)13(18)15-9-14(2,19)12-6-4-7-20-12/h4,6-8,19H,3,5,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyWNMRYGJNZWJDRK-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.06
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 71985094) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID71985094
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC(C)(O)c2cccs2)n[nH]1
InChIInChI=1S/C14H19N3O2S/c1-3-5-10-8-11(17-16-10)13(18)15-9-14(2,19)12-6-4-7-20-12/h4,6-8,19H,3,5,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyWNMRYGJNZWJDRK-UHFFFAOYSA-N
XLogP2.06
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
CID 111441794
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide
CID 99983177
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiadiazole-5-carboxamide
CID 71782349
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide
CID 111750728
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 71985094) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NCC(C)(O)c2cccs2)n[nH]1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is WNMRYGJNZWJDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-5-10-8-11(17-16-10)13(18)15-9-14(2,19)12-6-4-7-20-12/h4,6-8,19H,3,5,9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71985094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).