4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

C11H17FN4O2 — CID 132586585

IUPAC4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESNc1cn(CCF)nc1C(=O)NCC1CCCO1
InChIInChI=1S/C11H17FN4O2/c12-3-4-16-7-9(13)10(15-16)11(17)14-6-8-2-1-5-18-8/h7-8H,1-6,13H2,(H,14,17)
InChIKeyORLRFFQSNUNLRM-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.34
Rot. Bonds5

About 4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 132586585) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID132586585
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESNc1cn(CCF)nc1C(=O)NCC1CCCO1
InChIInChI=1S/C11H17FN4O2/c12-3-4-16-7-9(13)10(15-16)11(17)14-6-8-2-1-5-18-8/h7-8H,1-6,13H2,(H,14,17)
InChIKeyORLRFFQSNUNLRM-UHFFFAOYSA-N
XLogP0.34
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
4-amino-1-methyl-N-(morpholin-2-ylmethyl)pyrazole-3-carboxamide
CID 122445315
4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 132586720
5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442535
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442589

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (CID 132586585) is 4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is Nc1cn(CCF)nc1C(=O)NCC1CCCO1.
What is the InChIKey of 4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is ORLRFFQSNUNLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2/c12-3-4-16-7-9(13)10(15-16)11(17)14-6-8-2-1-5-18-8/h7-8H,1-6,13H2,(H,14,17).
What are the key properties of 4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
4-amino-1-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 256.28 g/mol, XLogP of 0.34, 5 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-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 132586585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).