N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide

C7H10FN3O — CID 130978682

IUPACN-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCF)n[nH]1
InChIInChI=1S/C7H10FN3O/c1-5-4-6(11-10-5)7(12)9-3-2-8/h4H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyGJIRZGJFBZIFNA-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.42
Rot. Bonds3

About N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide

N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 130978682) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID130978682
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC NameN-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCF)n[nH]1
InChIInChI=1S/C7H10FN3O/c1-5-4-6(11-10-5)7(12)9-3-2-8/h4H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyGJIRZGJFBZIFNA-UHFFFAOYSA-N
XLogP0.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
N-(6-bromohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 141446683
methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate
CID 86848865
N-[2-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 112529158
N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 81367172
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 66174202
1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497339
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide
CID 139018658
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 130978682) is N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCCF)n[nH]1.
What is the InChIKey of N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is GJIRZGJFBZIFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-5-4-6(11-10-5)7(12)9-3-2-8/h4H,2-3H2,1H3,(H,9,12)(H,10,11).
What are the key properties of N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 171.17 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 130978682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).