(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C15H20ClN3O2 — CID 39854745

IUPAC(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@@H](C)Cn2nc(C)c(Cl)c2C)o1
InChIInChI=1S/C15H20ClN3O2/c1-9(8-19-12(4)14(16)11(3)18-19)15(20)17-7-13-6-5-10(2)21-13/h5-6,9H,7-8H2,1-4H3,(H,17,20)/t9-/m0/s1
InChIKeyZWLANMZJNBDHJU-VIFPVBQESA-N
MW309.80 g/mol
LogP3.01
Rot. Bonds5

About (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 39854745) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID39854745
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@@H](C)Cn2nc(C)c(Cl)c2C)o1
InChIInChI=1S/C15H20ClN3O2/c1-9(8-19-12(4)14(16)11(3)18-19)15(20)17-7-13-6-5-10(2)21-13/h5-6,9H,7-8H2,1-4H3,(H,17,20)/t9-/m0/s1
InChIKeyZWLANMZJNBDHJU-VIFPVBQESA-N
XLogP3.01
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 39891789
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3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
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3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
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3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-methylpropanamide
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CID 51597984
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-chloro-5-nitrophenyl)-2-methylpropanamide
CID 19568568
(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 35526261
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19568517
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 39854745) is (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CNC(=O)[C@@H](C)Cn2nc(C)c(Cl)c2C)o1.
What is the InChIKey of (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is ZWLANMZJNBDHJU-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-9(8-19-12(4)14(16)11(3)18-19)15(20)17-7-13-6-5-10(2)21-13/h5-6,9H,7-8H2,1-4H3,(H,17,20)/t9-/m0/s1.
What are the key properties of (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 309.80 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 39854745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).