4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide

C10H17FN4O — CID 145225159

IUPAC4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(N)=O)c1CCC(C)(N)F
InChIInChI=1S/C10H17FN4O/c1-3-7-6(4-5-10(2,11)13)8(9(12)16)15-14-7/h3-5,13H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyWKDYEQVBYSQBJT-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.65
Rot. Bonds5

About 4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide

4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 145225159) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID145225159
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(N)=O)c1CCC(C)(N)F
InChIInChI=1S/C10H17FN4O/c1-3-7-6(4-5-10(2,11)13)8(9(12)16)15-14-7/h3-5,13H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyWKDYEQVBYSQBJT-UHFFFAOYSA-N
XLogP0.65
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 2202791
5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 2874138
N'-cyclopentylidene-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 820020
N-(cyclopentylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 820033
5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 25161469
4-(dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 279947
4-(dimethylaminodiazenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 279948
2,2,6,6-tetramethyl-4-(2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)hydrazono)piperidinium
CID 801131
4-amino-3-(propan-2-yl)-1H-pyrazole-5-carboxamide
CID 16099749
4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 28358792
1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 45121258
5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 25163411

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide (CID 145225159) is 4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(N)=O)c1CCC(C)(N)F.
What is the InChIKey of 4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is WKDYEQVBYSQBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-3-7-6(4-5-10(2,11)13)8(9(12)16)15-14-7/h3-5,13H2,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of 4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide?
4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 228.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 145225159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).