N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide

C18H25N3O2 — CID 94345225

IUPACN-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide
SMILESCCN(C(=O)CCCn1cccn1)[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C18H25N3O2/c1-4-21(15(2)16-8-5-9-17(14-16)23-3)18(22)10-6-12-20-13-7-11-19-20/h5,7-9,11,13-15H,4,6,10,12H2,1-3H3/t15-/m0/s1
InChIKeyWHRCMTXXHRXDNA-HNNXBMFYSA-N
MW315.42 g/mol
LogP3.28
Rot. Bonds8

About N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide

N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide (PubChem CID 94345225) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide
PubChem CID94345225
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide
SMILESCCN(C(=O)CCCn1cccn1)[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C18H25N3O2/c1-4-21(15(2)16-8-5-9-17(14-16)23-3)18(22)10-6-12-20-13-7-11-19-20/h5,7-9,11,13-15H,4,6,10,12H2,1-3H3/t15-/m0/s1
InChIKeyWHRCMTXXHRXDNA-HNNXBMFYSA-N
XLogP3.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
(1R)-1-(3-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81373333
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55593250
2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 112821920
N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 55593336
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55592320
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182
N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
CID 61491656

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide (CID 94345225) is N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide is CCN(C(=O)CCCn1cccn1)[C@@H](C)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is WHRCMTXXHRXDNA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-21(15(2)16-8-5-9-17(14-16)23-3)18(22)10-6-12-20-13-7-11-19-20/h5,7-9,11,13-15H,4,6,10,12H2,1-3H3/t15-/m0/s1.
What are the key properties of N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide?
N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 315.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 94345225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).