4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide

C9H15FN4O2 — CID 132586745

IUPAC4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1c(N)cnn1CCF
InChIInChI=1S/C9H15FN4O2/c1-16-5-3-12-9(15)8-7(11)6-13-14(8)4-2-10/h6H,2-5,11H2,1H3,(H,12,15)
InChIKeyMKXBPNSWORYXJD-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.19
Rot. Bonds6

About 4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide

4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide (PubChem CID 132586745) has the molecular formula C9H15FN4O2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
PubChem CID132586745
Molecular FormulaC9H15FN4O2
Molecular Weight230.24 g/mol
Exact Mass230.12
IUPAC Name4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1c(N)cnn1CCF
InChIInChI=1S/C9H15FN4O2/c1-16-5-3-12-9(15)8-7(11)6-13-14(8)4-2-10/h6H,2-5,11H2,1H3,(H,12,15)
InChIKeyMKXBPNSWORYXJD-UHFFFAOYSA-N
XLogP-0.19
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide (CID 132586745) is 4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide is COCCNC(=O)c1c(N)cnn1CCF.
What is the InChIKey of 4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide?
The InChIKey is MKXBPNSWORYXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O2/c1-16-5-3-12-9(15)8-7(11)6-13-14(8)4-2-10/h6H,2-5,11H2,1H3,(H,12,15).
What are the key properties of 4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide?
4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide has a molecular weight of 230.24 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 132586745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).