N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide

C17H21FN4O — CID 123622050

IUPACN-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)Cn1ccc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C17H21FN4O/c18-15(12-19-17(23)21-9-4-5-10-21)13-22-11-8-16(20-22)14-6-2-1-3-7-14/h1-3,6-8,11,15H,4-5,9-10,12-13H2,(H,19,23)
InChIKeyIBRMVZAFSYIXLZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.69
Rot. Bonds5

About N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide

N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 123622050) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID123622050
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)Cn1ccc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C17H21FN4O/c18-15(12-19-17(23)21-9-4-5-10-21)13-22-11-8-16(20-22)14-6-2-1-3-7-14/h1-3,6-8,11,15H,4-5,9-10,12-13H2,(H,19,23)
InChIKeyIBRMVZAFSYIXLZ-UHFFFAOYSA-N
XLogP2.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514529
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CID 118524356
N-[2-[3-(3-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529255
N-benzylazonane-1-carboxamide
CID 130689649
[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium
CID 144959097
3-(3-phenylpyrazol-1-yl)propanamide
CID 19835817
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
CID 118305470
azepan-1-yl-(6-phenylpyridazin-3-yl)methanone
CID 113200597
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide
CID 126432703
N-phenyl-3-(3-phenylpyrazol-1-yl)propanamide
CID 155548249

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide (CID 123622050) is N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide is O=C(NCC(F)Cn1ccc(-c2ccccc2)n1)N1CCCC1.
What is the InChIKey of N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is IBRMVZAFSYIXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-15(12-19-17(23)21-9-4-5-10-21)13-22-11-8-16(20-22)14-6-2-1-3-7-14/h1-3,6-8,11,15H,4-5,9-10,12-13H2,(H,19,23).
What are the key properties of N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide?
N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 123622050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).