(2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide

C18H25N3O2 — CID 164640614

IUPAC(2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide
SMILESCCCOc1ccccc1CCNC(=O)[C@@H](C)Cn1cccn1
InChIInChI=1S/C18H25N3O2/c1-3-13-23-17-8-5-4-7-16(17)9-11-19-18(22)15(2)14-21-12-6-10-20-21/h4-8,10,12,15H,3,9,11,13-14H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyADDKGKUODXCZCX-HNNXBMFYSA-N
MW315.42 g/mol
LogP2.67
Rot. Bonds9

About (2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide

(2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 164640614) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide
PubChem CID164640614
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide
SMILESCCCOc1ccccc1CCNC(=O)[C@@H](C)Cn1cccn1
InChIInChI=1S/C18H25N3O2/c1-3-13-23-17-8-5-4-7-16(17)9-11-19-18(22)15(2)14-21-12-6-10-20-21/h4-8,10,12,15H,3,9,11,13-14H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyADDKGKUODXCZCX-HNNXBMFYSA-N
XLogP2.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131905264
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119772890
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131940714
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 164630474
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131924118
2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide
CID 137196556
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide
CID 72840141
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 94028861
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide (CID 164640614) is (2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide is CCCOc1ccccc1CCNC(=O)[C@@H](C)Cn1cccn1.
What is the InChIKey of (2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is ADDKGKUODXCZCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-13-23-17-8-5-4-7-16(17)9-11-19-18(22)15(2)14-21-12-6-10-20-21/h4-8,10,12,15H,3,9,11,13-14H2,1-2H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide?
(2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 315.42 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 164640614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).