4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide

C18H32N4O — CID 49088558

IUPAC4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESCN(C)CCn1cc(NC(=O)C2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C18H32N4O/c1-18(2,3)15-8-6-14(7-9-15)17(23)20-16-12-19-22(13-16)11-10-21(4)5/h12-15H,6-11H2,1-5H3,(H,20,23)
InChIKeyQMOFPYSDXKSFGI-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.24
Rot. Bonds5

About 4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide

4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide (PubChem CID 49088558) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
PubChem CID49088558
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESCN(C)CCn1cc(NC(=O)C2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C18H32N4O/c1-18(2,3)15-8-6-14(7-9-15)17(23)20-16-12-19-22(13-16)11-10-21(4)5/h12-15H,6-11H2,1-5H3,(H,20,23)
InChIKeyQMOFPYSDXKSFGI-UHFFFAOYSA-N
XLogP3.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 60945562
3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 95744342
tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 95786616
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788
(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidine-2-carboxamide
CID 103813844
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide
CID 95744328
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 110279329
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 60616207
2-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 64823183
(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61163094

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide (CID 49088558) is 4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide is CN(C)CCn1cc(NC(=O)C2CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of 4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The InChIKey is QMOFPYSDXKSFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-18(2,3)15-8-6-14(7-9-15)17(23)20-16-12-19-22(13-16)11-10-21(4)5/h12-15H,6-11H2,1-5H3,(H,20,23).
What are the key properties of 4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 49088558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).