ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate

C16H29N3O2 — CID 82699023

IUPACethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(CCn1nc(CC)cc1CC)NC(C)C
InChIInChI=1S/C16H29N3O2/c1-6-13-11-14(7-2)19(18-13)10-9-15(17-12(4)5)16(20)21-8-3/h11-12,15,17H,6-10H2,1-5H3
InChIKeyUWWDNZRTPKNLCM-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.33
Rot. Bonds9

About ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate

ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate (PubChem CID 82699023) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate
PubChem CID82699023
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Nameethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(CCn1nc(CC)cc1CC)NC(C)C
InChIInChI=1S/C16H29N3O2/c1-6-13-11-14(7-2)19(18-13)10-9-15(17-12(4)5)16(20)21-8-3/h11-12,15,17H,6-10H2,1-5H3
InChIKeyUWWDNZRTPKNLCM-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate
CID 82695361
ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
CID 82693116
ethyl 2-(propan-2-ylamino)-4-pyrazol-1-ylbutanoate
CID 55144911
ethyl 4-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate
CID 63039754
3,5-diethyl-1-propylpyrazole
CID 82699697
methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate
CID 82694733
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
3-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 82700280
1-(5-chloro-3-methylpentyl)-3,5-diethylpyrazole
CID 82693006
3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide
CID 82700121
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate?
The IUPAC name of ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate (CID 82699023) is ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate?
The canonical SMILES for ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate is CCOC(=O)C(CCn1nc(CC)cc1CC)NC(C)C.
What is the InChIKey of ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate?
The InChIKey is UWWDNZRTPKNLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-13-11-14(7-2)19(18-13)10-9-15(17-12(4)5)16(20)21-8-3/h11-12,15,17H,6-10H2,1-5H3.
What are the key properties of ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate?
ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate has a molecular weight of 295.43 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 82699023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).