N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide

C11H21N5O — CID 3607698

IUPACN'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCCN(CC)CCNNC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C11H21N5O/c1-4-16(5-2)7-6-12-15-11(17)10-8-9(3)13-14-10/h8,12H,4-7H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyFTFLTPPGOMTDGS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.29
Rot. Bonds7

About N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide

N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide (PubChem CID 3607698) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide
PubChem CID3607698
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCCN(CC)CCNNC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C11H21N5O/c1-4-16(5-2)7-6-12-15-11(17)10-8-9(3)13-14-10/h8,12H,4-7H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyFTFLTPPGOMTDGS-UHFFFAOYSA-N
XLogP0.29
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate
CID 135590483
N-(6-bromohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 141446683
1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497339
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide
CID 139018658
N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508355
N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 123757607
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide (CID 3607698) is N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide is CCN(CC)CCNNC(=O)c1cc(C)[nH]n1.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is FTFLTPPGOMTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-16(5-2)7-6-12-15-11(17)10-8-9(3)13-14-10/h8,12H,4-7H2,1-3H3,(H,13,14)(H,15,17).
What are the key properties of N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 239.32 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 3607698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).