N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide

C14H18N4O2S — CID 97001668

IUPACN'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide
SMILESCc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C14H18N4O2S/c1-8(12-9(2)17-18(4)10(12)3)13(19)15-16-14(20)11-6-5-7-21-11/h5-8H,1-4H3,(H,15,19)(H,16,20)/t8-/m1/s1
InChIKeyAVKOLYPKFQWZGC-MRVPVSSYSA-N
MW306.39 g/mol
LogP1.66
Rot. Bonds3

About N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide

N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide (PubChem CID 97001668) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide
PubChem CID97001668
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide
SMILESCc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C14H18N4O2S/c1-8(12-9(2)17-18(4)10(12)3)13(19)15-16-14(20)11-6-5-7-21-11/h5-8H,1-4H3,(H,15,19)(H,16,20)/t8-/m1/s1
InChIKeyAVKOLYPKFQWZGC-MRVPVSSYSA-N
XLogP1.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 71882069
(2R)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95592122
1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84589932
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] thiophene-2-carboxylate
CID 8648821
N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71935380
(2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95348451
[1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea
CID 18164638
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
2-benzyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 119233623
N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931633
N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 56822421
(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94796021

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide (CID 97001668) is N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide is Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide?
The InChIKey is AVKOLYPKFQWZGC-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8(12-9(2)17-18(4)10(12)3)13(19)15-16-14(20)11-6-5-7-21-11/h5-8H,1-4H3,(H,15,19)(H,16,20)/t8-/m1/s1.
What are the key properties of N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide?
N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide has a molecular weight of 306.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 97001668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).