1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide

C20H29N5O2 — CID 56503498

IUPAC1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1
InChIInChI=1S/C20H29N5O2/c1-13(2)17-11-16(24-25(17)20(4,5)6)19(27)23-22-18(26)12-21-15-9-7-14(3)8-10-15/h7-11,13,21H,12H2,1-6H3,(H,22,26)(H,23,27)
InChIKeyJBANTRLYDQFNJT-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.94
Rot. Bonds5

About 1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide

1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide (PubChem CID 56503498) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide
PubChem CID56503498
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1
InChIInChI=1S/C20H29N5O2/c1-13(2)17-11-16(24-25(17)20(4,5)6)19(27)23-22-18(26)12-21-15-9-7-14(3)8-10-15/h7-11,13,21H,12H2,1-6H3,(H,22,26)(H,23,27)
InChIKeyJBANTRLYDQFNJT-UHFFFAOYSA-N
XLogP2.94
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide
CID 110000703
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide
CID 55774633
1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide
CID 78888929
1-tert-butyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole
CID 59222294
1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 87012220
5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide
CID 18140176
N'-[2-(4-methylanilino)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
CID 55505843
1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 46490232
3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide
CID 55348617
1-tert-butyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 120946536
N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide
CID 18267359
4-fluoro-2-iodo-N'-[2-(4-methylanilino)acetyl]benzohydrazide
CID 56502474

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide?
The IUPAC name of 1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide (CID 56503498) is 1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide.
What is the SMILES notation for 1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide?
The canonical SMILES for 1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1.
What is the InChIKey of 1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide?
The InChIKey is JBANTRLYDQFNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13(2)17-11-16(24-25(17)20(4,5)6)19(27)23-22-18(26)12-21-15-9-7-14(3)8-10-15/h7-11,13,21H,12H2,1-6H3,(H,22,26)(H,23,27).
What are the key properties of 1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide?
1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide has a molecular weight of 371.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide is sourced from PubChem (CID 56503498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).