1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide

C14H18N4O2S — CID 2809443

IUPAC1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccs2)nn1C(C)(C)C
InChIInChI=1S/C14H18N4O2S/c1-9-8-10(17-18(9)14(2,3)4)12(19)15-16-13(20)11-6-5-7-21-11/h5-8H,1-4H3,(H,15,19)(H,16,20)
InChIKeyQSFPVEPQHHOVNX-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.08
Rot. Bonds2

About 1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide

1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide (PubChem CID 2809443) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide
PubChem CID2809443
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccs2)nn1C(C)(C)C
InChIInChI=1S/C14H18N4O2S/c1-9-8-10(17-18(9)14(2,3)4)12(19)15-16-13(20)11-6-5-7-21-11/h5-8H,1-4H3,(H,15,19)(H,16,20)
InChIKeyQSFPVEPQHHOVNX-UHFFFAOYSA-N
XLogP2.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.08
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'3-(2-thienylcarbonyl)-4-bromo-1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743626
1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5402503
3-methyl-N'-[(E)-thiophen-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6866198
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thiophene-2-carboxamide
CID 658972
5-(propan-2-yl)-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
CID 5782679
N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]-2-thiophenecarbohydrazide
CID 3830565
N-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxamide
CID 468656
3-Isopropyl-N'-(1-(2-thienyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5399812
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42285750
3,5-dimethyl-1-(2-thienylcarbonyl)-1H-pyrazole
CID 730456
(1-phenyl-3-(2-thienyl)pyrazol-5-yl)-N-(phenylamino)carboxamide
CID 2546117

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide?
The IUPAC name of 1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide (CID 2809443) is 1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cccs2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide?
The InChIKey is QSFPVEPQHHOVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-8-10(17-18(9)14(2,3)4)12(19)15-16-13(20)11-6-5-7-21-11/h5-8H,1-4H3,(H,15,19)(H,16,20).
What are the key properties of 1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide?
1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide has a molecular weight of 306.39 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 2809443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).