4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide

C7H11FN4O — CID 132586573

IUPAC4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(CCF)cc1N
InChIInChI=1S/C7H11FN4O/c1-10-7(13)6-5(9)4-12(11-6)3-2-8/h4H,2-3,9H2,1H3,(H,10,13)
InChIKeyUEYJPCGKDRSSAX-UHFFFAOYSA-N
MW186.19 g/mol
LogP-0.21
Rot. Bonds3

About 4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide

4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide (PubChem CID 132586573) has the molecular formula C7H11FN4O and a molecular weight of 186.19 g/mol. Its IUPAC name is 4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide
PubChem CID132586573
Molecular FormulaC7H11FN4O
Molecular Weight186.19 g/mol
Exact Mass186.09
IUPAC Name4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(CCF)cc1N
InChIInChI=1S/C7H11FN4O/c1-10-7(13)6-5(9)4-12(11-6)3-2-8/h4H,2-3,9H2,1H3,(H,10,13)
InChIKeyUEYJPCGKDRSSAX-UHFFFAOYSA-N
XLogP-0.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(2-fluoroethyl)pyrazole-3-carboxylic acid
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CID 86207976
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
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4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
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methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide (CID 132586573) is 4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1nn(CCF)cc1N.
What is the InChIKey of 4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is UEYJPCGKDRSSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O/c1-10-7(13)6-5(9)4-12(11-6)3-2-8/h4H,2-3,9H2,1H3,(H,10,13).
What are the key properties of 4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide?
4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 186.19 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 132586573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).