5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide

C17H16ClN3O2 — CID 39891375

IUPAC5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)o1)c1ccccc1
InChIInChI=1S/C17H16ClN3O2/c1-12(13-5-3-2-4-6-13)20-17(22)16-8-7-15(23-16)11-21-10-14(18)9-19-21/h2-10,12H,11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyNWJKCMQKWBDJOD-LBPRGKRZSA-N
MW329.79 g/mol
LogP3.67
Rot. Bonds5

About 5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide

5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide (PubChem CID 39891375) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
PubChem CID39891375
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)o1)c1ccccc1
InChIInChI=1S/C17H16ClN3O2/c1-12(13-5-3-2-4-6-13)20-17(22)16-8-7-15(23-16)11-21-10-14(18)9-19-21/h2-10,12H,11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyNWJKCMQKWBDJOD-LBPRGKRZSA-N
XLogP3.67
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloropyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082957
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19441991
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 44820958
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 44825207
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 98510415
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 19578909
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 134062990
5-[(2-oxo-1-pyridinyl)methyl]-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 134024480
5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
CID 29096511
5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 81354268
N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 86795032

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide (CID 39891375) is 5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide is C[C@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)o1)c1ccccc1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
The InChIKey is NWJKCMQKWBDJOD-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-12(13-5-3-2-4-6-13)20-17(22)16-8-7-15(23-16)11-21-10-14(18)9-19-21/h2-10,12H,11H2,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 39891375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).