3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide

C12H21FN4O — CID 146680636

IUPAC3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cn(CCF)nc1N
InChIInChI=1S/C12H21FN4O/c1-3-6-16(7-4-2)12(18)10-9-17(8-5-13)15-11(10)14/h9H,3-8H2,1-2H3,(H2,14,15)
InChIKeyITNMALYIPKKCKX-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.70
Rot. Bonds7

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

3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide (PubChem CID 146680636) has the molecular formula C12H21FN4O and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide
PubChem CID146680636
Molecular FormulaC12H21FN4O
Molecular Weight256.32 g/mol
Exact Mass256.17
IUPAC Name3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cn(CCF)nc1N
InChIInChI=1S/C12H21FN4O/c1-3-6-16(7-4-2)12(18)10-9-17(8-5-13)15-11(10)14/h9H,3-8H2,1-2H3,(H2,14,15)
InChIKeyITNMALYIPKKCKX-UHFFFAOYSA-N
XLogP1.70
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide
CID 146680632
3-amino-N-ethyl-1-propylpyrazole-4-carboxamide
CID 146680638
N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide
CID 102809912
3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide
CID 146680522
3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680585
5-amino-1-methyl-N,N-dipropylpyrazole-3-carboxamide
CID 82188767
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propylpyrazole-3-carboxamide
CID 65358051
2-amino-N,N-dipropylbenzamide
CID 16769117
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
5-amino-N,N-dipropyl-1H-pyrazole-4-carboxamide
CID 43159428
4-amino-N-ethyl-1-(2-fluoroethyl)-N-phenylpyrazole-3-carboxamide
CID 132586605
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 114034963

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide (CID 146680636) is 3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide is CCCN(CCC)C(=O)c1cn(CCF)nc1N.
What is the InChIKey of 3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide?
The InChIKey is ITNMALYIPKKCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4O/c1-3-6-16(7-4-2)12(18)10-9-17(8-5-13)15-11(10)14/h9H,3-8H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide?
3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide has a molecular weight of 256.32 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide is sourced from PubChem (CID 146680636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).