N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide

C20H29N3O2 — CID 97096032

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)n1ncc(C(=O)N(C)[C@@H](C)c2ccccc2OC)c1C
InChIInChI=1S/C20H29N3O2/c1-7-16(8-2)23-15(4)18(13-21-23)20(24)22(5)14(3)17-11-9-10-12-19(17)25-6/h9-14,16H,7-8H2,1-6H3/t14-/m0/s1
InChIKeyZSSPFSFDZLAWHL-AWEZNQCLSA-N
MW343.47 g/mol
LogP4.39
Rot. Bonds7

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide (PubChem CID 97096032) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide
PubChem CID97096032
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)n1ncc(C(=O)N(C)[C@@H](C)c2ccccc2OC)c1C
InChIInChI=1S/C20H29N3O2/c1-7-16(8-2)23-15(4)18(13-21-23)20(24)22(5)14(3)17-11-9-10-12-19(17)25-6/h9-14,16H,7-8H2,1-6H3/t14-/m0/s1
InChIKeyZSSPFSFDZLAWHL-AWEZNQCLSA-N
XLogP4.39
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 95226525
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55593721
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
2,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 74627130
6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55595224
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95571609
N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 71909128
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,3-dimethyl-2-nitrobenzamide
CID 32629259
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78882620

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide (CID 97096032) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide is CCC(CC)n1ncc(C(=O)N(C)[C@@H](C)c2ccccc2OC)c1C.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide?
The InChIKey is ZSSPFSFDZLAWHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-7-16(8-2)23-15(4)18(13-21-23)20(24)22(5)14(3)17-11-9-10-12-19(17)25-6/h9-14,16H,7-8H2,1-6H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 97096032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).