5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide

C16H23N5O — CID 174908208

IUPAC5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide
SMILESCc1c(C(=O)NN(C)CC(C)C)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H23N5O/c1-11(2)10-20(4)19-16(22)14-12(3)15(17)21(18-14)13-8-6-5-7-9-13/h5-9,11H,10,17H2,1-4H3,(H,19,22)
InChIKeyDDLPNHUPTKNRDL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.00
Rot. Bonds5

About 5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide

5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide (PubChem CID 174908208) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide
PubChem CID174908208
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide
SMILESCc1c(C(=O)NN(C)CC(C)C)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H23N5O/c1-11(2)10-20(4)19-16(22)14-12(3)15(17)21(18-14)13-8-6-5-7-9-13/h5-9,11H,10,17H2,1-4H3,(H,19,22)
InChIKeyDDLPNHUPTKNRDL-UHFFFAOYSA-N
XLogP2.00
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.00
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

5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
CID 145013429
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
CID 174915893
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
CID 163894427
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate
CID 131749930
2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol
CID 71015486
[1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid
CID 90156211
4-methoxy-N,N-bis(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8554268

Frequently Asked Questions

What is the IUPAC name of 5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide (CID 174908208) is 5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide is Cc1c(C(=O)NN(C)CC(C)C)nn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is DDLPNHUPTKNRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11(2)10-20(4)19-16(22)14-12(3)15(17)21(18-14)13-8-6-5-7-9-13/h5-9,11H,10,17H2,1-4H3,(H,19,22).
What are the key properties of 5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide?
5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 301.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 174908208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).